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:168
Name:2,3,4-Trichloroaniline
Description:
Labels:training, Anilines
CAS:634-67-3
InChi Code:InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.6

experimental value

2.95

Eq1: Linear correlation with logP (Training set)

2.83

Eq2: Non-linear regression model (Training set)

2.83

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

Links to External Resources