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:643
Name:2,2-dichloroethenyl dimethyl phosphate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Dichlorvos
Labels:
CAS:62-73-7
InChi Code:InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

Properties

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

ValueSource or prediction
1.67

experimental value

1.1276

Tab2.Model_2: logKoc (Training set)

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