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:224
Name:Pipron
Description:Other name: Piperalin
Labels:training, Benzoates
CAS:3478-94-2
InChi Code:InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.7

experimental value

3.97

Eq1: Linear correlation with logP (Training set)

3.98

Eq2: Non-linear regression model (Training set)

3.98

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