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:683
Name:Cyhalothrin
Description:
Labels:validation, Other_compounds
CAS:91465-08-6
InChi Code:InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.26

experimental value

4.41

Eq1: Linear correlation with logP (Validation set)

4.52

Eq2: Non-linear regression model (Validation set)

4.52

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