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: | 1295 | |
|---|---|---|
| Name: | 1,3,5-trimethylcyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3.5-trimethyl cyclohexane | |
| Labels: | ||
| CAS: | 1839-63-0 | |
| InChi Code: | InChI=1/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8-,9- |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.710825461 |
experimental value |
| 0.1584 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |