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:701
Name:Bifenthrin
Description:
Labels:validation, Other_compounds
CAS:82657-04-3
InChi Code:InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.35

experimental value

5.32

Eq1: Linear correlation with logP (Validation set)

5.45

Eq2: Non-linear regression model (Validation set)

5.45

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