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:462
Name:Acridine
Description:
Labels:training, Polyaromatic_heterocycles
CAS:260-94-6
InChi Code:InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.18

experimental value

2.9

Eq1: Linear correlation with logP (Training set)

2.79

Eq2: Non-linear regression model (Training set)

3.76

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

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