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: | 1467 | |
|---|---|---|
| Name: | (1R,3R)-1-hexyl-3-methylcyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-methyl-1-hexyl cyclohexane | |
| Labels: | ||
| CAS: | 52886-35-8 | |
| InChi Code: | InChI=1S/C13H26/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.970825461 |
experimental value |
| 0.7337 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |