Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 08:06:43
  • Qualités :
  • Propriétés physico-chimiques :

Redescriptions

Score de l'analyse : Moyenne des score des redescriptions.

Comment lire les redescriptions

# Qualités Propriétés physico-chimiques Score (en %) Support Support qualités Support propriétés
1 8.0 < animal nBM = 10.0
et O% < 2.4
100.0 3 3 3
2 8.0 < animal nBM = 10.0
et RBN < 0.0
100.0 3 3 3
3 vegetable < 1.0
et 7.0 < woody
1.133 < Mi < 1.134
et nH = 28.0
100.0 3 3 3
4 dusty < 3.0
et 7.0 < woody
1.133 < Mi < 1.134
et nH = 28.0
100.0 3 3 3
5 2.0 < coniferous < 3.0
et 3.0 < powdery
1.127 < Mi < 1.13
et 3.0 < nCIC
100.0 3 3 3
6 2.0 < coniferous < 3.0
et 3.0 < powdery
37.5 < C% < 38.6
et 3.0 < nCIC
100.0 3 3 3
7 coniferous = 1.0
et 7.0 < woody
1.133 < Mi
et 1.0 < nR07
100.0 3 3 3
8 4.0 < animal
et 2.0 < erogenic < 3.0
nBM = 10.0
et 8.0 < nCsp2 < 11.0
100.0 3 3 3
9 4.0 < animal
et 2.0 < erogenic < 3.0
nAB = 10.0
et 8.0 < nCsp2 < 11.0
100.0 3 3 3
10 1.0 < smoky < 2.0
et 7.0 < woody
nBM = 2.0
et 1.0 < nR07
100.0 3 3 3
11 coniferous = 3.0 1.0 < nCrt
et 3.267 < MLOGP < 3.721
et 245.206 < SAtot < 358.224
100.0 3 3 3
12 honey = 1.0
et buttery = 2.0
3.0 < nO
et 51.6 < H% < 57.9
et nRCOOR = 1.0
100.0 3 3 3
13 fresh < 2.0
et 8.0 < fruity
184.31 < MW
et 16.305 < Sv < 17.832
et 2.0 < nCrs < 4.0
100.0 3 3 3
14 fresh < 2.0
et 8.0 < fruity
16.305 < Sv < 17.832
et 13.0 < nSK
et 2.0 < nCrs < 4.0
100.0 3 3 3
15 honey = 1.0
et buttery = 2.0
51.6 < H% < 57.9
et nRCOOR = 1.0
et 3.0 < nHAcc
100.0 3 3 3
16 4.0 < green < 5.0
et 3.0 < aldehyde
1.0 < nROH
ou -0.864 < Hy < -0.848
et 134.19 < MW
et 2.0 < RBN < 6.0
et TPSA(Tot) < 17.07
100.0 4 4 4
17 medicinal < 0.0 12.0 < nSK < 21.0
ou nR06 < 0.0
et nArOH < 0.0
ou H% < 42.9
ou 1.0 < nRCHO
ou 212.821 < SAtot < 234.092
et nArOR < 1.0
ou 4.0 < RBN < 5.0
ou -0.164 < Hy
ou 35.01 < TPSA(Tot) < 37.3
et nArCOOR < 0.0
et nPyridines < 0.0
ou 18.547 < Sv < 20.832
91.38 191 196 204
18 6.0 < woody 1.0 < nR07
ou Ui < 0.0
et Mi < 1.134
90.9 10 11 10
19 6.0 < woody 40.814 < Se < 43.698
et Ui < 0.0
ou 1.0 < nR07
90.9 10 11 10
20 medicinal < 0.0
et aromatic < 7.0
3.0 < RBN
ou 13.0 < nC
ou 1.0 < nRCHO
ou 1.0 < nOHp
ou 29.46 < TPSA(Tot)
et nArOH < 0.0
ou nR06 = 2.0
et ARR < 0.706
ou 4.5 < O% < 4.8
ou 244.921 < SAtot < 249.123
90.52 191 193 209
21 citrusy < 0.0
et fatty < 2.0
18.0 < nSK
ou RBN < 2.0
ou 35.6 < C%
ou nRCO = 1.0
ou 1.727 < MLOGP < 2.289
ou 307.86 < SAtot < 312.242
et -0.946 < Hy
ou 2.0 < nCIC < 3.0
90.43 189 196 202
22 4.0 < watery < 5.0
et 1.0 < aldehyde
nCp < 3.0
et 1.0 < nHDon
et 311.751 < SAtot < 335.396
ou 64.7 < H% < 65.2
et 1.14 < Mi < 1.145
87.5 7 8 7
23 fresh < 3.0
et citrusy < 2.0
170.33 < MW < 184.31
ou 3.0 < nBM
ou nR05 = 1.0
ou 1.0 < nArCHO
ou 1.0 < nOHp
ou -0.257 < Hy < -0.213
ou 34.14 < TPSA(Tot) < 38.69
ou 3.721 < MLOGP
ou 308.248 < SAtot < 316.208
86.42 191 197 215
24 1.0 < erogenic
et 6.0 < powdery
nCp = 6.0
ou 2.0 < nArNO2
85.71 6 7 6
25 5.0 < erogenic < 7.0 25.332 < Sv < 25.563
et 44.0 < nBT
ou 0.286 < ARR < 0.316
et 1.0 < RBN < 5.0
85.71 6 6 7
26 2.0 < watery < 5.0
et 4.0 < aldehyde
Se < 37.258
et 10.0 < RBN < 11.0
ou 64.3 < H% < 65.2
et nCp < 2.0
84.61 11 11 13
27 8.0 < woody 15.0 < nC < 16.0
ou 1.0 < nR07
et nCt = 3.0
83.33 5 6 5
28 5.0 < fatty 8.0 < RBN < 10.0
ou 10.0 < nCsp3 < 11.0
et 1.0 < nOHp
83.33 5 6 5
29 2.0 < erogenic < 7.0
et 6.0 < powdery
7.0 < nBM < 8.0
et nCIC = 2.0
ou 0.286 < ARR < 0.316
et 4.0 < nCp < 6.0
83.33 5 5 6
30 3.0 < floral < 4.0
et 6.0 < powdery
7.0 < nBM < 8.0
et nCIC = 2.0
ou ARR = 0.286
et 5.0 < nCp < 6.0
83.33 5 6 5
31 6.0 < floral
et 1.0 < lavender
1.0 < nOHt
et 2.545 < MLOGP < 2.894
80.0 4 4 5
32 7.0 < woody RBN < 0.0
et 1.0 < nR07
ou 3.941 < MLOGP < 4.145
80.0 8 8 10
33 4.0 < spicy
et 1.0 < smoky
1.0 < nN
ou 2.0 < nCbH < 3.0
et 14.402 < Sv < 17.832
et 1.121 < Mi < 1.125
77.77 7 9 7
34 aldehyde < 0.0
et 1.0 < erogenic
22.036 < Sv < 25.563
ou 1.0 < nRCO
et 32.6 < C% < 43.5
ou nBM = 10.0
et 1.0 < nCIC
et nR05 < 1.0
et nR=Cp < 0.0
ou 41.912 < Se < 43.698
77.14 27 30 32
35 spicy < 0.0
et 5.0 < powdery
12.0 < nAB
et 3.587 < MLOGP < 3.719
ou 0.286 < ARR < 0.316
et 2.0 < RBN < 5.0
et nCconj < 1.0
ou 254.46 < MW < 258.44
76.92 10 11 12
36 6.0 < erogenic Mi < 1.125
et 4.0 < nCp < 6.0
ou 254.46 < MW < 258.44
75.0 6 6 8
37 6.0 < erogenic 254.46 < MW < 258.44
ou 4.0 < nCp < 6.0
et 24.036 < Sv < 25.563
75.0 6 6 8
38 4.0 < floral < 6.0
et 5.0 < anisic
19.745 < Se < 20.073
et 0.6 < ARR
et nCbH < 4.0
75.0 3 4 3
39 5.0 < anisic
et 2.0 < dusty
19.745 < Se < 20.073
et 0.6 < ARR
et nCbH < 4.0
75.0 3 4 3
40 1.0 < erogenic < 5.0
et 6.0 < woody
222.41 < MW < 246.43
et 2.0 < nCrq
ou 37.5 < C% < 37.8
et 367.518 < SAtot
75.0 6 6 8
41 1.0 < erogenic < 5.0
et 6.0 < woody
2.0 < nCq
et 3.866 < MLOGP < 4.116
ou 37.5 < C% < 37.8
et 367.518 < SAtot
75.0 6 6 8
42 4.0 < floral < 6.0
et lavender = 1.0
1.125 < Mi < 1.126
et 2.0 < RBN < 4.0
et 1.0 < nCt
et -0.846 < Hy < -0.294
75.0 3 4 3
43 citrusy = 2.0
et 2.0 < floral < 5.0
19.224 < Sv < 20.036
ou 61.5 < H% < 62.9
ou nR=Ct = 1.0
et 186.33 < MW < 198.34
et 10.0 < nCsp3
ou 3.676 < MLOGP < 3.806
et nBM < 4.0
et nCrs < 2.0
75.0 6 6 8
44 green < 2.0
et 1.0 < coniferous
3.0 < nCrs < 5.0
ou 1.0 < nOHs
et 1.0 < nCrt
ou 184.36 < MW < 186.33
ou Hy = -0.96
et 59.1 < H%
73.52 25 31 28
45 green < 2.0
et 1.0 < coniferous
184.36 < MW < 186.33
ou 3.0 < nCrs < 5.0
ou 1.0 < nOHs
et nBM < 2.0
ou Hy = -0.96
et 2.0 < nCp
73.52 25 31 28
46 spicy < 0.0 nCIC < 0.0
ou 1.0 < nR=Cp
et nCb- < 1.0
ou 15.117 < Sv
ou 0.667 < ARR < 0.846
ou 2.369 < MLOGP < 2.455
et nR07 < 0.0
ou 12.5 < O% < 15.8
et nCsp2 < 13.0
et nArCHO < 0.0
et nOHs < 0.0
ou 18.0 < nH < 22.0
et nArOR < 1.0
et 9.23 < TPSA(Tot)
ou 10.0 < nBM < 12.0
73.36 146 150 195
47 green < 1.0
et lavender < 3.0
152.26 < MW < 162.2
ou 15.0 < nC
ou 1.0 < nCconj < 4.0
ou 1.0 < nOHp
ou -0.79 < Hy
et H% < 64.5
ou 1.123 < Mi < 1.125
ou 353.246 < SAtot < 357.033
et 0.922 < MLOGP < 5.579
ou nAT < 14.0
ou 4.0 < nCrs < 5.0
et nR=Cp < 0.0
ou 8.3 < O% < 9.1
ou 12.0 < nCsp2
et nOHs < 0.0
73.03 130 138 170
48 green < 1.0
et lavender < 3.0
152.26 < MW < 162.2
ou 15.0 < nC
ou 1.0 < nCconj < 4.0
ou 1.0 < nOHp
ou -0.79 < Hy
et H% < 64.5
ou 1.123 < Mi < 1.125
ou 4.0 < nCrs < 5.0
ou 353.246 < SAtot < 357.033
et 0.922 < MLOGP < 5.579
ou Sv < 7.537
et nR=Cp < 0.0
ou 8.3 < O% < 9.1
ou 12.0 < nCsp2
et nOHs < 0.0
73.03 130 138 170
49 green < 1.0
et lavender < 3.0
152.26 < MW < 162.2
ou 15.0 < nC
ou 1.0 < nCconj < 4.0
ou 1.0 < nOHp
ou -0.79 < Hy
et H% < 64.5
ou 1.123 < Mi < 1.125
ou 353.246 < SAtot < 357.033
et 0.922 < MLOGP < 5.579
ou nAT < 14.0
ou 4.0 < nCrs < 5.0
et nR=Cp < 0.0
ou 8.3 < O% < 9.1
ou 2.807 < Ui
et nOHs < 0.0
73.03 130 138 170
50 1.0 < aldehyde < 2.0
et vegetable < 0.0
1.143 < Mi < 1.145
et 1.0 < nOHp
ou 1.0 < nRCHO
et 14.929 < Sv < 21.09
et RBN < 8.0
et 321.735 < SAtot
71.42 5 7 5
51 2.0 < dusty < 5.0
et 1.0 < smoky < 2.0
50.0 < H%
et 1.0 < nArOH
ou nO < 0.0
et nCs < 0.0
ou nCrs = 5.0
ou 277.868 < SAtot < 278.44
et Mi < 1.133
ou -0.413 < Hy < -0.352
et 131.19 < MW
et 2.0 < nBM
70.83 17 20 21
52 aldehyde < 2.0
et fruity < 0.0
4.0 < nCt
ou nRCOOR < 0.0
et 1.0 < nR06 < 3.0
et nCbH < 4.0
ou 45.909 < Se
ou 1.128 < Mi < 1.129
et 1.834 < MLOGP < 5.579
ou 1.0 < nArOH
ou -0.702 < Hy < -0.614
et 31.9 < C% < 50.0
et nCconj < 2.0
et nArCHO < 0.0
67.46 56 68 71
53 1.0 < vegetable < 2.0
et 6.0 < medicinal
nH < 9.0
ou nArCOOR = 1.0
et 1.117 < Mi < 1.123
et 1.859 < MLOGP
66.66 4 4 6
54 2.0 < floral
et 6.0 < medicinal
nH < 9.0
et 1.859 < MLOGP < 2.034
ou nArCOOR = 1.0
et 1.116 < Mi < 1.121
66.66 4 4 6
55 floral < 2.0
et 4.0 < vegetable
2.0 < nROR
ou 235.547 < SAtot < 263.456
et nSK < 13.0
et 32.0 < C% < 46.2
et O% < 6.9
66.66 18 23 22
56 floral < 1.0
et minty = 1.0
14.214 < Sv < 14.402
et nCt = 1.0
ou 61.1 < H% < 61.9
et 1.0 < nR06
et 2.0 < nCs < 4.0
et 2.813 < MLOGP < 3.866
66.66 4 6 4
57 medicinal < 0.0
et 1.0 < erogenic
254.46 < MW < 262.43
ou 4.5 < N% < 8.3
ou 2.2 < O% < 3.3
ou 1.0 < nArCO
et 32.4 < C% < 40.5
et nRCHO < 0.0
et 316.078 < SAtot < 438.243
66.66 22 27 28
58 honey < 5.0
et 1.0 < woody
33.3 < C% < 40.9
ou 1.0 < nR04
et 51.6 < H% < 62.5
ou 1.0 < nCt < 2.0
et 2.289 < MLOGP
ou nAT = 20.0
ou -0.257 < Hy < -0.244
et nRCHO < 0.0
et nOHp < 0.0
ou Mi = 1.143
66.42 91 104 124
59 6.0 < fresh
et 1.0 < watery < 2.0
58.3 < H% < 63.0
ou 1.0 < nCrs < 3.0
et -0.877 < Hy < -0.835
ou 22.84 < Se < 23.84
ou 1.149 < Mi
et RBN < 5.0
et 2.0 < nCp < 3.0
ou nCt = 3.0
et MW < 208.33
65.0 13 14 19
60 3.0 < erogenic < 7.0 O% < 2.5
et nR05 = 1.0
ou 23.831 < Sv < 25.563
et 1.114 < Mi < 1.138
64.28 9 11 12
61 2.0 < earthy < 4.0
et 1.0 < smoky
1.0 < nArOH
ou 1.0 < nPyridines
ou 3.77 < MLOGP < 4.107
et RBN < 4.0
et O% < 10.7
ou TPSA(Tot) < 0.0
et 43.8 < H% < 59.6
64.28 18 25 21
62 vegetable = 5.0 22.073 < Se < 24.513
ou nDB = 2.0
et 1.0 < nR=Cp
ou 236.268 < SAtot < 241.45
et 23.0 < nBT
et MLOGP < 2.573
63.63 7 10 8
63 fruity < 0.0
et buttery < 0.0
4.2 < N%
ou 1.0 < nCrt
ou 1.0 < nArOH
ou 2.0 < nROR
ou 277.868 < SAtot < 278.44
et RBN < 5.0
et nR=Cs < 2.0
ou 30.0 < nH
ou nHAcc < 0.0
et 15.764 < Se < 51.676
et 32.1 < C% < 50.0
63.29 50 62 67
64 3.0 < watery < 5.0
et sweet < 2.0
5.0 < RBN < 12.0
ou nR=Cs = 2.0
et nBM < 2.0
ou 134.19 < MW < 134.24
et nCconj < 0.0
ou -0.923 < Hy < -0.912
et nCt < 1.0
et nCrt < 1.0
et TPSA(Tot) < 20.23
ou nCsp2 = 2.0
et 0.787 < MLOGP < 4.44
ou 35.5 < C% < 36.0
et 10.0 < nSK < 17.0
et nCIC < 1.0
63.04 29 38 37
65 4.0 < sweet
et 1.0 < anisic < 4.0
10.7 < O% < 12.0
et 1.0 < nArOR
ou 188.908 < SAtot < 198.955
et nCbH < 4.0
62.5 5 8 5
66 4.0 < dusty
et earthy = 4.0
2.0 < nCrt
et 1.0 < nHDon
ou nCrs = 4.0
et 1.129 < Mi < 1.136
et nR05 < 1.0
62.5 5 7 6
67 citrusy = 1.0
et 1.0 < vegetable
3.0 < nCsp2 < 5.0
et nRCOOR = 1.0
ou -0.96 < Hy < -0.948
ou 431.429 < SAtot < 444.607
et nCp < 4.0
et 2.753 < MLOGP
ou 64.3 < H% < 64.5
et nCrt < 0.0
et nRCHO < 0.0
ou 34.8 < C% < 35.3
62.5 20 25 27
68 sourish < 2.0
et 1.0 < balsamic
18.983 < Sv < 19.171
ou 42.1 < H% < 44.4
ou 8.0 < nCsp2 < 15.0
ou 1.0 < nR05
ou 1.0 < nR07
et 1.0 < nDB
et 17.07 < TPSA(Tot) < 46.53
ou nCIC = 3.0
et 1.959 < MLOGP < 4.464
ou MW = 192.28
ou -0.164 < Hy < -0.161
62.19 51 60 73
69 sourish < 2.0
et 1.0 < balsamic
18.983 < Sv < 19.171
ou 42.1 < H% < 44.4
ou 8.0 < nCsp2 < 15.0
ou 1.0 < nR05
ou 1.0 < nR07
et 1.0 < nDB
et 17.07 < TPSA(Tot) < 46.53
ou MW = 192.28
ou nCIC = 3.0
et 1.959 < MLOGP < 4.464
ou -0.164 < Hy < -0.161
62.19 51 60 73
70 vegetable < 4.0
et 3.0 < dusty
35.6 < C% < 39.3
ou 3.4 < N% < 5.0
et 16.456 < Sv < 25.805
ou 278.44 < SAtot < 278.772
et RBN < 4.0
ou 41.7 < H% < 42.1
ou 12.89 < TPSA(Tot) < 15.79
et 20.0 < nBT
61.22 30 40 39
71 5.0 < animal nAB = 10.0
et 3.17 < Uc < 3.585
60.0 3 5 3
72 5.0 < animal 8.0 < nBM < 11.0
et nAB = 10.0
60.0 3 5 3
73 7.0 < erogenic 256.43 < MW < 258.44
et 17.0 < nSK
60.0 3 4 4
74 6.0 < erogenic < 7.0 1.124 < Mi < 1.125
et 38.0 < nAT < 47.0
60.0 3 4 4
75 1.0 < aromatic < 2.0
et earthy < 3.0
1.0 < nCsp3 < 5.0
ou 1.0 < nR=Cp
et nR=Cs < 0.0
ou 232.4 < MW < 252.33
et 1.0 < RBN < 6.0
et nArCHO < 0.0
et nROR < 0.0
et 17.07 < TPSA(Tot)
ou 10.5 < O% < 11.5
et nArOR < 0.0
ou 22.073 < Se < 22.4
ou 281.387 < SAtot < 281.783
58.42 52 58 83
76 1.0 < aromatic < 2.0
et earthy < 3.0
1.0 < nCsp3 < 5.0
ou 1.0 < nR=Cp
et nR=Cs < 0.0
et 17.07 < TPSA(Tot)
ou 232.4 < MW < 252.33
et 1.0 < RBN < 6.0
et nArCHO < 0.0
et nROR < 0.0
ou 10.5 < O% < 11.5
et nArOR < 0.0
ou 22.073 < Se < 22.4
ou 281.387 < SAtot < 281.783
58.42 52 58 83
77 1.0 < metallic < 2.0
et animal < 0.0
13.876 < Sv < 22.278
ou 1.0 < nR=Cp
et nCbH < 9.0
ou nBM = 1.0
et 88.12 < MW < 254.35
ou 21.629 < Se < 22.949
ou Hy = -0.848
ou 1.977 < MLOGP < 2.083
et 1.104 < Mi
58.24 113 115 192
78 1.0 < buttery
et spicy < 2.0
166.29 < MW < 258.44
ou 1.0 < nRCOOH
et 2.5 < O%
et 17.07 < TPSA(Tot) < 43.37
ou 13.349 < Sv < 13.655
et nROR < 1.0
ou 4.0 < nC < 6.0
et nRCHO < 0.0
et nArOR < 1.0
ou 37.0 < nAT < 38.0
et 1.104 < Mi < 1.146
et nCsp2 < 13.0
57.54 61 71 96
79 1.0 < buttery
et spicy < 2.0
166.29 < MW < 258.44
ou 1.0 < nRCOOH
et 2.5 < O%
et 17.07 < TPSA(Tot) < 43.37
ou 13.349 < Sv < 13.655
et nRCHO < 0.0
et nROR < 1.0
ou 4.0 < nC < 6.0
et nArOR < 1.0
ou 37.0 < nAT < 38.0
et 1.104 < Mi < 1.146
et nCsp2 < 13.0
57.54 61 71 96
80 1.0 < buttery < 2.0
et erogenic < 2.0
3.0 < nCconj < 4.0
ou 1.0 < nRCOOR
et 166.29 < MW < 242.45
et 31.6 < C% < 48.4
ou 13.456 < Sv < 13.655
ou nAT = 28.0
ou 2.5 < O% < 2.7
et 15.79 < TPSA(Tot) < 43.37
ou 1.0 < nOHs
et nCrs < 3.0
ou H% = 60.0
57.44 54 63 85
81 sweet = 6.0 17.305 < Se < 19.516
et 4.0 < nCar < 6.0
et nCbH < 4.0
57.14 4 5 6
82 3.0 < aromatic < 5.0 1.0 < nROH
ou 0.936 < MLOGP < 2.754
et 16.862 < Se < 25.284
ou 48.3 < H% < 48.6
et 1.0 < nDB
ou 41.9 < C% < 42.2
et Mi < 1.125
et TPSA(Tot) < 38.83
ou 10.0 < O% < 10.7
et nArCOOR < 0.0
56.66 34 43 51
83 buttery = 2.0
et aromatic < 0.0
57.1 < H% < 58.8
ou 1.0 < nRCOOR
et 37.258 < Se < 41.141
et 7.0 < RBN
54.54 6 8 9
84 fresh < 4.0
et tart < 0.0
nAB = 12.0
ou 2.17 < Ui
ou 29.46 < TPSA(Tot) < 38.69
et 1.0 < nO
ou 32.047 < Se < 32.491
ou 403.253 < SAtot < 409.187
et Hy < -0.257
ou 0.922 < MLOGP < 1.869
53.84 70 75 125
85 honey < 0.0
et buttery = 1.0
1.0 < nRCOOR
et nHAcc = 3.0
ou 166.29 < MW < 168.26
ou 63.8 < H% < 64.3
ou 358.224 < SAtot < 371.131
et Mi < 1.141
et 3.0 < nCsp3 < 14.0
ou 4.234 < MLOGP < 4.379
52.0 26 39 37
86 honey < 0.0
et buttery = 1.0
nHet = 3.0
et 1.0 < nRCOOR
ou 166.29 < MW < 168.26
ou 63.8 < H% < 64.3
ou 358.224 < SAtot < 371.131
et Mi < 1.141
et 3.0 < nCsp3 < 14.0
ou 4.234 < MLOGP < 4.379
52.0 26 39 37
87 1.0 < sourish < 2.0
et minty = 2.0
13.778 < Sv < 14.064
et 2.0 < nCb-
ou 150.24 < MW < 152.26
et 1.977 < MLOGP < 2.294
50.0 5 8 7
88 sourish < 2.0
et 1.0 < anisic < 4.0
10.5 < O% < 12.5
ou 1.0 < nArCOOR
et nBM < 7.0
et -0.807 < Hy < -0.291
ou 2.369 < MLOGP < 2.386
50.0 11 14 19
89 sourish < 2.0
et 1.0 < anisic < 4.0
10.5 < O% < 12.5
ou 1.0 < nArCOOR
et nCsp2 < 7.0
et -0.807 < Hy < -0.291
ou 2.369 < MLOGP < 2.386
50.0 11 14 19
90 5.0 < fatty < 6.0 1.142 < Mi < 1.145
et 8.0 < RBN < 10.0
42.85 3 4 6
91 4.0 < coniferous < 5.0 RBN < 0.0
et 241.45 < SAtot < 276.871
42.85 3 5 5
92 8.0 < aldehyde 5.0 < nCs < 8.0
et 1.0 < nRCHO
33.33 3 5 7

Qualités

Medicinal Coniferous Lavender Earthy Balsamic Fruity Tart Aldehyde Sourish Honey Animal Floral Green Smoky Sweet Fatty Buttery Anisic Minty Dusty Aromatic Fresh Vegetable Erogenic Citrusy Woody Powdery Spicy Watery Metallic

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nCrq number of ring quaternary C(sp3) Functional group counts Basic descriptors
nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices Basic descriptors
nROR number of ethers (aliphatic) Functional group counts Basic descriptors
nRCOOR number of esters (aliphatic) Functional group counts Basic descriptors
SAtot total surface area from P_VSA-like descriptors Molecular properties Basic descriptors
H% percentage of H atoms Constitutional indices Basic descriptors
nROH number of hydroxyl groups Functional group counts Basic descriptors
nRCOOH number of carboxylic acids (aliphatic) Functional group counts Basic descriptors
RBN number of rotatable bonds Constitutional indices Basic descriptors
N% percentage of N atoms Constitutional indices Basic descriptors
Ui unsaturation index Molecular properties Basic descriptors
nAT number of atoms Constitutional indices Basic descriptors
nCt number of total tertiary C(sp3) Functional group counts Basic descriptors
nCs number of total secondary C(sp3) Functional group counts Basic descriptors
nHDon number of donor atoms for H-bonds (N and O) Functional group counts Basic descriptors
TPSA(Tot) topological polar surface area using N,O,S,P polar contributions Molecular properties Basic descriptors
nCq number of total quaternary C(sp3) Functional group counts Basic descriptors
nCconj number of non-aromatic conjugated C(sp2) Functional group counts Basic descriptors
Uc unsaturation count Molecular properties Basic descriptors
nCp number of terminal primary C(sp3) Functional group counts Basic descriptors
Hy hydrophilic factor Molecular properties Basic descriptors
nO number of Oxygen atoms Constitutional indices Basic descriptors
nN number of Nitrogen atoms Constitutional indices Basic descriptors
nOHt number of tertiary alcohols Functional group counts Basic descriptors
nOHs number of secondary alcohols Functional group counts Basic descriptors
nArCOOR number of esters (aromatic) Functional group counts Basic descriptors
nOHp number of primary alcohols Functional group counts Basic descriptors
nH number of Hydrogen atoms Constitutional indices Basic descriptors
nAB number of aromatic bonds Constitutional indices Basic descriptors
nDB number of double bonds Constitutional indices Basic descriptors
nSK number of non-H atoms Constitutional indices Basic descriptors
nC number of Carbon atoms Constitutional indices Basic descriptors
nR=Ct number of aliphatic tertiary C(sp2) Functional group counts Basic descriptors
nR=Cs number of aliphatic secondary C(sp2) Functional group counts Basic descriptors
nR07 number of 7-membered rings Ring descriptors Basic descriptors
nR06 number of 6-membered rings Ring descriptors Basic descriptors
nArNO2 number of nitro groups (aromatic) Functional group counts Basic descriptors
nR05 number of 5-membered rings Ring descriptors Basic descriptors
nR04 number of 4-membered rings Ring descriptors Basic descriptors
nR=Cp number of terminal primary C(sp2) Functional group counts Basic descriptors
nRCHO number of aldehydes (aliphatic) Functional group counts Basic descriptors
nCar number of aromatic C(sp2) Functional group counts Basic descriptors
nHAcc number of acceptor atoms for H-bonds (N,O,F) Functional group counts Basic descriptors
nHet number of heteroatoms Constitutional indices Basic descriptors
nCbH number of unsubstituted benzene C(sp2) Functional group counts Basic descriptors
Sv sum of atomic van der Waals volumes (scaled on Carbon atom) Constitutional indices Basic descriptors
nArCO number of ketones (aromatic) Functional group counts Basic descriptors
nArCHO number of aldehydes (aromatic) Functional group counts Basic descriptors
nPyridines number of Pyridines Functional group counts Basic descriptors
nArOR number of ethers (aromatic) Functional group counts Basic descriptors
C% percentage of C atoms Constitutional indices Basic descriptors
Mi mean first ionization potential (scaled on Carbon atom) Constitutional indices Basic descriptors
O% percentage of O atoms Constitutional indices Basic descriptors
nBT number of bonds Constitutional indices Basic descriptors
nArOH number of aromatic hydroxyls Functional group counts Basic descriptors
ARR aromatic ratio Ring descriptors Basic descriptors
Se sum of atomic Sanderson electronegativities (scaled on Carbon atom) Constitutional indices Basic descriptors
nCIC number of rings (cyclomatic number) Ring descriptors Basic descriptors
nBM number of multiple bonds Constitutional indices Basic descriptors
nCb- number of substituted benzene C(sp2) Functional group counts Basic descriptors
MW molecular weight Constitutional indices Basic descriptors
nRCO number of ketones (aliphatic) Functional group counts Basic descriptors
MLOGP Moriguchi octanol-water partition coeff. (logP) Molecular properties Basic descriptors
nCrt number of ring tertiary C(sp3) Functional group counts Basic descriptors
nCrs number of ring secondary C(sp3) Functional group counts Basic descriptors
nCsp3 number of sp3 hybridized Carbon atoms Constitutional indices Basic descriptors

Visualisations