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:582
Name:Aldicarb sulfone
Description:
Labels:training, Sulfone_derivatives
CAS:1646-88-4
InChi Code:InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5-

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
0.42

experimental value

0.18

Eq1: Linear correlation with logP (Training set)

0.93

Eq2: Non-linear regression model (Training set)

0.93

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