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:273
Name:Benzo[k]fluoranthene
Description:
Labels:training, PAHs
CAS:207-08-9
InChi Code:InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5

experimental value

4.91

Eq1: Linear correlation with logP (Training set)

5.09

Eq2: Non-linear regression model (Training set)

5.53

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

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