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:453
Name:3,4-Dichlorobenzotriazole
Description:
Labels:training, Aromatic_Heterocycles
CAS:3622-30-8
InChi Code:InChI=1S/C7H3Cl2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.33

experimental value

2.71

Eq1: Linear correlation with logP (Training set)

2.61

Eq2: Non-linear regression model (Training set)

2.61

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