Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1286 | |
|---|---|---|
| Name: | (1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexanol. 5-methyl-2-(1-methylethyl)- | |
| Labels: | ||
| CAS: | 1490-04-6 | |
| InChi Code: | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.189174539 |
experimental value |
| -0.8942 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |