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:673
Name:Bifenox
Description:
Labels:validation, Other_compounds
CAS:42576-02-3
InChi Code:InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4

experimental value

3.41

Eq1: Linear correlation with logP (Validation set)

3.33

Eq2: Non-linear regression model (Validation set)

3.33

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

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