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:593
Name:Chlorimuron ethyl
Description:
Labels:training, Sulfone_derivatives
CAS:90982-32-4
InChi Code:InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.04

experimental value

2.32

Eq1: Linear correlation with logP (Training set)

2.25

Eq2: Non-linear regression model (Training set)

2.25

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

Links to External Resources