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: | 1325 | |
|---|---|---|
| Name: | (2-cyclohexylethyl)cyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexane. 1.1'-(1.2-ethanediyl)bis- | |
| Labels: | ||
| CAS: | 3321-50-4 | |
| InChi Code: | InChI=1S/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.130825461 |
experimental value |
| 0.9624 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |