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:466
Name:7H-Dibenzo[c,g]carbazole
Description:
Labels:training, Polyaromatic_heterocycles
CAS:194-59-2
InChi Code:InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
6.03

experimental value

4.72

Eq1: Linear correlation with logP (Training set)

4.89

Eq2: Non-linear regression model (Training set)

5.86

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

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