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: | 1446 | |
|---|---|---|
| Name: | 4'-hexyl-[1,1'-biphenyl]-4-carbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4'-n-hexyl-4-cyanobiphenyl | |
| Labels: | ||
| CAS: | 41122-70-7 | |
| InChi Code: | InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.850825461 |
experimental value |
| 0.4175 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |