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:690
Name:Hydramethylnon
Description:
Labels:validation, Other_compounds
CAS:67485-29-4
InChi Code:InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.86

experimental value

5.52

Eq1: Linear correlation with logP (Validation set)

5.53

Eq2: Non-linear regression model (Validation set)

5.53

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