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: | 1316 | |
|---|---|---|
| Name: | O-4-cyanophenyl O,O-dimethyl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyanophos | |
| Labels: | ||
| CAS: | 2636-26-2 | |
| InChi Code: | InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.230825461 |
experimental value |
| -0.3727 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |