10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:677
Name:Diclofop-methyl
Description:
Labels:validation, Other_compounds
CAS:51338-27-3
InChi Code:InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.2

experimental value

3.59

Eq1: Linear correlation with logP (Validation set)

3.53

Eq2: Non-linear regression model (Validation set)

3.53

Eq3: Non-linear regression model with correction factors (Validation set)

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