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:589
Name:Chlorosulfuron
Description:
Labels:training, Sulfone_derivatives
CAS:64902-72-3
InChi Code:InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.19

experimental value

1.4

Eq1: Linear correlation with logP (Training set)

1.56

Eq2: Non-linear regression model (Training set)

1.56

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