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: | 1206 | |
|---|---|---|
| Name: | (S)-(4-chlorophenyl)(phenyl)methanol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenemethanol. 4-chloro-.alpha.-phenyl- | |
| Labels: | ||
| CAS: | 119-56-2 | |
| InChi Code: | InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/t13-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.889174539 |
experimental value |
| 0.0303 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |