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:1383
Name:ethyl bis(phenylsulfanyl)phosphinate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Edifenphos
Labels:
CAS:17109-49-8
InChi Code:InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.035174539

experimental value

-0.4118

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