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:689
Name:Amitraz
Description:
Labels:validation, Other_compounds
CAS:33089-61-1
InChi Code:InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

4.17

Eq1: Linear correlation with logP (Validation set)

4.23

Eq2: Non-linear regression model (Validation set)

4.23

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