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:591
Name:Metasulfron methyl
Description:
Labels:training, Sulfone_derivatives
CAS:74223-64-6
InChi Code:InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.54

experimental value

0.91

Eq1: Linear correlation with logP (Training set)

1.28

Eq2: Non-linear regression model (Training set)

1.28

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