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: | 1541 | |
|---|---|---|
| Name: | (1S,2R,4S)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1 isobutyl 2.5 dimethyl cyclohexane | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3/t10-,11-,12+/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.800825461 |
experimental value |
| 0.6053 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |