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:1008
Name:2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorfenvinphos(cis)
Labels:
CAS:18708-87-7
InChi Code:InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3

Properties

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

ValueSource or prediction
2.47

experimental value

2.8429

Tab2.Model_2: logKoc (Training set)

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