10967/177 - QDB Compounds

QsarDB Repository

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

ValueSource or prediction
-0.379174539

experimental value

-0.5575

Tab2.Model_5: Metab. biotransf. fish (Training set)