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: | 1279 | |
|---|---|---|
| Name: | (3R)-3,5,5-trimethylcyclohex-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.5.5 trimethyl cyclohexene | |
| Labels: | ||
| CAS: | 933-12-0 | |
| InChi Code: | InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.720825461 |
experimental value |
| 0.4848 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |