| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity | 3.0 < N% < 13.0 et 1.0 < nCsp2 < 4.0 et 2.0 < nR03 et 3.0 < nCar < 5.0 ou 7.0 < H% < 10.0 et 0.874 < Ui < 3.43 ou nRCOOH = 33.0 et 1.0 < nHet < 8.0 ou 6.24 < Sv < 6.244 ou nCs = 12.0 et 0.077 < X% ou 23.0 < nC < 24.0 |
51.69 | 458 | 570 | 774 | |
| 2 | Floral | 3.0 < nHet ou nR03 = 1.0 et 9.0 < nCL < 27.0 et 1.141 < Ui < 3.889 ou 4.824 < Sv < 4.843 ou 11.0 < N% < 12.0 et 0.04 < X% < 0.263 ou MW = 143.2 et 18.0 < nAT < 70.0 |
40.58 | 375 | 476 | 823 | |
| 3 | Musk | MW = 192.28 ou 3.593 < Ui et 28.0 < nR=Cp < 56.0 et 2.339 < TPSA(Tot) ou 5.0 < nCsp2 et 30.0 < nO < 50.0 |
39.34 | 24 | 52 | 33 | |
| 4 | Oily | Sv < 6.009 et 38.0 < nAT et 0.231 < X% ou 140.25 < MW < 144.29 et 14.0 < nR=Cp < 25.0 ou Ui = 2.589 ou 1.269 < TPSA(Tot) < 1.287 |
33.42 | 120 | 232 | 247 | |
| 5 | Ethereal | 130.16 < MW < 130.21 ou H% < 8.0 et nAT < 29.0 ou 2.089 < TPSA(Tot) < 2.107 et nArNHR < 3.0 ou 0.267 < X% < 0.269 et Ui < 2.502 ou 6.554 < Sv < 6.557 |
33.19 | 81 | 144 | 181 | |
| 6 | Green | 4.772 < Sv < 6.71 et 2.0 < N% < 12.0 et 1.0 < nR03 < 3.0 et nCrt = 3.0 et 0.874 < Ui < 3.297 ou 120.21 < MW < 122.18 ou 53.0 < nAT < 54.0 ou nHet = 12.0 ou 1.0 < nR05 et 0.038 < X% < 0.273 et TPSA(Tot) < 3.011 ou 47.0 < nAB < 48.0 ou 4.0 < nArCOOR < 5.0 |
30.75 | 286 | 357 | 859 | |
| 7 | Herbaceous | 144.29 < MW < 249.39 et 3.0 < nCar < 5.0 et 5.0 < nArOH ou H% = 11.0 et 5.324 < Sv < 11.263 ou 53.0 < nR=Cp < 63.0 et 1.0 < nHet < 10.0 et 0.561 < Ui < 3.503 ou nBT < 0.0 ou N% = 12.0 ou 3.925 < TPSA(Tot) et 16.0 < nCs ou 2.0 < nR05 et 18.0 < nAT < 81.0 |
27.84 | 269 | 356 | 879 | |
| 8 | Woody | H% = 15.5 ou X% < 0.083 ou 115.0 < nR=Cp < 117.0 ou 2.934 < TPSA(Tot) < 2.985 et 3.0 < nArOH < 4.0 |
26.19 | 132 | 223 | 413 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nC | number of Carbon atoms | Constitutional indices | Basic descriptors | |
| nCL | number of Chlorine atoms | Constitutional indices | Basic descriptors | |
| nCar | number of aromatic C(sp2) | Functional group counts | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nRCOOH | number of carboxylic acids (aliphatic) | 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 | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nR05 | number of 5-membered rings | Ring descriptors | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors |