| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity ou Herbaceous ou Waxy ou Woody |
nHet < 3.0 ou 23.0 < nCs < 41.0 et 6.0 < H% < 24.0 ou 3.848 < Ui |
63.47 | 961 | 1022 | 1453 | |
| 2 | Fruity ou Oily ou Spicy ou Woody |
9.0 < H% < 24.0 et 19.0 < nR=Cp ou 32.05 < MW < 305.46 ou 1.27 < Ui < 2.462 |
60.8 | 895 | 980 | 1387 | |
| 3 | Balsamic ou Fruity ou Oily ou Woody |
4.74 < Sv < 5.399 ou 2.0 < nHet < 4.0 ou 2.0 < nR03 < 4.0 |
59.76 | 903 | 999 | 1415 | |
| 4 | Fruity ou Minty ou Oily ou Woody |
150.24 < MW < 236.39 ou nArNHR = 3.0 et 12.0 < nCs < 37.0 ou 6.0 < nAT < 44.0 |
59.67 | 879 | 957 | 1395 | |
| 5 | Fruity ou Oily ou Vanilin ou Woody |
4.74 < Sv < 6.276 ou 2.0 < nR03 et nHet < 8.0 et nCrt = 3.0 |
59.11 | 879 | 931 | 1435 | |
| 6 | Camphor ou Citrus ou Fruity ou Herbaceous |
136.26 < MW < 158.22 ou 12.0 < nCL < 17.0 ou nArNHR < 3.0 et 8.0 < nArCOOR < 23.0 |
57.41 | 825 | 932 | 1330 | |
| 7 | Fruity ou Herbaceous ou Vanilin ou Waxy |
19.0 < nAB < 21.0 ou 0.114 < X% < 0.314 et 1.0 < nR03 et 0.874 < Ui < 3.551 |
57.32 | 720 | 894 | 1082 | |
| 8 | Camphor ou Fatty ou Fruity ou Herbaceous |
14.0 < nArCOOR < 22.0 ou 11.0 < nOHs < 12.0 et 17.0 < nO < 46.0 ou 6.0 < H% < 11.0 |
57.25 | 833 | 943 | 1345 | |
| 9 | Citrus ou Fruity ou Leafy ou Woody |
114.16 < MW < 254.46 ou 21.0 < H% < 24.0 et 15.0 < nR=Cp < 124.0 ou 1.27 < Ui < 1.599 |
55.61 | 777 | 861 | 1313 | |
| 10 | Fruity ou Musk ou Spicy ou Woody |
4.96 < Sv < 6.241 ou 2.0 < nR03 < 8.0 et 1.0 < nCsp2 ou 22.0 < nCs < 24.0 |
55.5 | 812 | 875 | 1400 | |
| 11 | Fruity ou Spicy ou Waxy ou Woody |
3.0 < N% et 1.0 < nR03 ou 0.021 < X% < 0.083 et 1.014 < Ui < 4.052 |
55.09 | 784 | 889 | 1318 | |
| 12 | Floral ou Nut ou Winey ou Woody |
142.27 < MW < 172.3 ou 13.0 < H% et 17.0 < nAT < 62.0 ou 4.824 < Sv < 4.862 |
51.44 | 712 | 775 | 1321 | |
| 13 | Caramelic ou Ethereal ou Floral ou Oily |
2.0 < N% < 13.0 et 1.0 < nR03 < 7.0 ou 133.16 < MW < 150.19 ou 10.0 < nC < 17.0 |
51.28 | 801 | 827 | 1536 | |
| 14 | Earthy ou Ethereal ou Floral ou Woody |
4.76 < Sv < 5.32 ou 0.04 < X% < 0.212 ou nArOH = 5.0 |
50.29 | 760 | 837 | 1434 | |
| 15 | Caramelic ou Floral ou Winey ou Woody |
3.0 < nHet et nCsp2 = 2.0 ou 29.0 < nO ou H% = 10.0 |
48.48 | 670 | 781 | 1271 | |
| 16 | Floral ou Medicinal ou Minty ou Oily |
154.28 < MW < 158.22 ou 4.787 < Sv < 5.127 ou 13.0 < H% < 36.0 ou 0.701 < Ui < 0.786 |
48.06 | 670 | 754 | 1310 | |
| 17 | Floral ou Medicinal ou Minty ou Winey |
4.798 < Sv < 5.081 ou 14.0 < nOHs et 17.0 < nAT < 56.0 ou 107.17 < MW < 108.15 |
44.73 | 612 | 672 | 1308 | |
| 18 | Earthy ou Floral ou Medicinal ou Winey |
4.787 < Sv < 5.127 ou 9.0 < nCL < 11.0 ou 5.0 < nOxolanes et 17.0 < nAT < 62.0 |
44.54 | 633 | 675 | 1379 | |
| 19 | Balsamic ou Ethereal ou Green ou Pineapple |
2.0 < N% et 0.846 < Ui < 3.297 ou 120.21 < MW < 122.23 ou nCs < 14.0 |
43.53 | 586 | 651 | 1281 | |
| 20 | Balsamic ou Ethereal ou Green ou Nut |
32.05 < MW < 122.23 ou 2.0 < N% < 12.0 et 3.299 < Ui < 3.848 ou 3.248 < TPSA(Tot) < 3.256 |
43.13 | 597 | 653 | 1328 | |
| 21 | Balsamic ou Caramelic ou Ethereal ou Green |
0.083 < X% < 0.275 ou nR=Cp < 12.0 et Ui < 3.238 ou 35.0 < nCs < 37.0 |
42.75 | 575 | 660 | 1260 | |
| 22 | Berry ou Fatty ou Herbaceous ou Woody |
135.23 < MW < 137.15 ou 6.0 < nAT < 47.0 ou 11.0 < nC < 18.0 ou 11.0 < nOHs < 12.0 |
42.63 | 608 | 678 | 1356 | |
| 23 | Ethereal ou Green ou Pineapple ou Spicy |
0.037 < X% < 0.273 et 0.94 < Ui < 3.301 ou nCL < 6.0 et nOHs < 26.0 |
42.36 | 560 | 638 | 1244 | |
| 24 | Camphor ou Ethereal ou Green ou Spicy |
5.127 < Sv < 6.71 ou nHet < 0.0 ou 2.0 < N% < 3.0 |
41.44 | 589 | 656 | 1354 | |
| 25 | Camphor ou Ethereal ou Oily ou Pear |
0.231 < X% < 0.31 ou 13.0 < nArCOOR < 14.0 ou 13.0 < nOHs < 37.0 et 6.0 < nHet < 11.0 |
40.56 | 333 | 448 | 706 | |
| 26 | Caramelic ou Floral ou Minty ou Nut |
4.787 < Sv < 5.059 ou 31.0 < nAT ou 3.0 < nHet < 15.0 ou nR=Cp = 10.0 |
40.44 | 586 | 629 | 1406 | |
| 27 | Caramelic ou Ethereal ou Oily ou Woody |
nBT < 0.0 ou 1.0 < nHet < 5.0 ou X% < 0.083 ou nR03 = 3.0 |
39.28 | 530 | 621 | 1258 | |
| 28 | Ethereal ou Oily |
168.26 < MW < 170.28 ou 10.0 < nCL < 26.0 ou 0.231 < X% et nArNHR < 3.0 |
38.78 | 261 | 369 | 565 | |
| 29 | Ethereal ou Minty ou Musk ou Oily |
152.26 < MW < 154.22 ou 29.0 < nRCOOH < 30.0 ou nArNHR = 3.0 |
38.43 | 369 | 483 | 846 | |
| 30 | Musk | X% < 0.103 et 3.593 < Ui < 3.737 ou nHet = 10.0 et 35.0 < nO < 50.0 |
38.18 | 21 | 52 | 24 | |
| 31 | Minty ou Musk ou Oily ou Pineapple |
4.74 < Sv < 6.092 et nArNHR < 3.0 ou 19.0 < nCL < 21.0 et 1.673 < Ui |
34.18 | 269 | 399 | 657 | |
| 32 | Ethereal ou Sour et |
nCL < 8.0 et nHet < 2.0 et Ui < 2.073 ou 144.19 < MW < 144.24 |
34.01 | 100 | 161 | 233 | |
| 33 | Ethereal ou Smoky ou Sour et |
nAT < 27.0 et nOHs < 12.0 ou 144.19 < MW < 144.24 ou Sv = 6.18 |
33.53 | 110 | 169 | 269 | |
| 34 | Acid ou Ethereal et |
H% < 8.0 et nArCOOR < 11.0 ou 130.16 < MW < 130.21 ou 6.554 < Sv < 6.557 |
32.27 | 81 | 145 | 187 | |
| 35 | Oily ou Pear ou Tea |
140.25 < MW < 144.29 ou 9.0 < N% et 4.74 < Sv < 6.095 ou 1.269 < TPSA(Tot) < 1.287 |
31.9 | 134 | 270 | 284 | |
| 36 | Ambre ou Camphor ou Oily ou Tea |
Sv < 5.399 ou 15.0 < nHet ou 2.587 < TPSA(Tot) < 2.615 |
29.5 | 185 | 346 | 466 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nC | number of Carbon atoms | Constitutional indices | Basic descriptors | |
| nCL | number of Chlorine atoms | Constitutional indices | Basic descriptors | |
| nOxolanes | number of Oxolanes | Functional group counts | Basic descriptors | |
| nRCOOH | number of carboxylic acids (aliphatic) | Functional group counts | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nArCOOR | number of esters (aromatic) | Functional group counts | Basic descriptors | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| nArNHR | number of secondary amines (aromatic) | Functional group counts | Basic descriptors | |
| nBT | number of bonds | Constitutional indices | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors |