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:700
Name:Fenvalerate
Description:
Labels:validation, Other_compounds
CAS:51630-58-1
InChi Code:InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.4

experimental value

4.65

Eq1: Linear correlation with logP (Validation set)

4.8

Eq2: Non-linear regression model (Validation set)

4.80

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

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