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: | 1327 | |
|---|---|---|
| Name: | O-4-[(R)-methanesulfinyl]-3-methylphenyl O,O-dimethyl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenthion sulfoxide | |
| Labels: | ||
| CAS: | 3761-41-9 | |
| InChi Code: | InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3/t17-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.379174539 |
experimental value |
| -0.5575 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |