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:405
Name:2,2'-Bipyridine
Description:
Labels:training, Aromatic_Heterocycles
CAS:366-18-7
InChi Code:InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.6

experimental value

1.61

Eq1: Linear correlation with logP (Training set)

1.71

Eq2: Non-linear regression model (Training set)

1.71

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

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