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:174
Name:Amino-3-nitrobenzene
Description:
Labels:training, Anilines
CAS:99-09-2
InChi Code:InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.73

experimental value

1.63

Eq1: Linear correlation with logP (Training set)

1.72

Eq2: Non-linear regression model (Training set)

1.72

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