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:1419
Name:O,O-dimethyl O-phenyl phosphorothioate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: O.O-Dimethyl-O-phenylphosphorothioate
Labels:
CAS:33576-92-0
InChi Code:InChI=1S/C8H11O3PS/c1-9-12(13,10-2)11-8-6-4-3-5-7-8/h3-7H,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.750825461

experimental value

-0.0522

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