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:592
Name:Thiameturon methyl
Description:
Labels:training, Sulfone_derivatives
CAS:79277-27-3
InChi Code:InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.7

experimental value

0.7

Eq1: Linear correlation with logP (Training set)

1.17

Eq2: Non-linear regression model (Training set)

1.17

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