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:465
Name:2,2'-Biquinoline
Description:
Labels:training, Polyaromatic_heterocycles
CAS:119-91-5
InChi Code:InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.02

experimental value

3.29

Eq1: Linear correlation with logP (Training set)

3.19

Eq2: Non-linear regression model (Training set)

4.16

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

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