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: | 1481 | |
|---|---|---|
| Name: | (1R)-1-(2-chlorophenyl)ethane-1,2-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-chloro-2-(1.2-ethanediol)benzene | |
| Labels: | ||
| CAS: | 59365-60-5 | |
| InChi Code: | InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.129174539 |
experimental value |
| -0.6181 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |