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:971
Name:dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorpyrifos methyl
Labels:
CAS:5598-13-0
InChi Code:InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
3.52

experimental value

3.3326

Tab2.Model_2: logKoc (Training set)