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:161
Name:4-Bromoaniline
Description:
Labels:training, Anilines
CAS:106-40-1
InChi Code:InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.96

experimental value

1.99

Eq1: Linear correlation with logP (Training set)

1.98

Eq2: Non-linear regression model (Training set)

1.98

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

Links to External Resources