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:167
Name:3-Trifluoromethylaniline
Description:
Labels:training, Anilines
CAS:98-16-8
InChi Code:InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.36

experimental value

2.07

Eq1: Linear correlation with logP (Training set)

2.04

Eq2: Non-linear regression model (Training set)

2.04

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

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