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:268
Name:Benzo[a]fluorene
Description:
Labels:training, PAHs
CAS:238-84-6
InChi Code:InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.5

experimental value

4.33

Eq1: Linear correlation with logP (Training set)

4.42

Eq2: Non-linear regression model (Training set)

4.86

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

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