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:266
Name:Fluoranthene
Description:
Labels:training, PAHs
CAS:206-44-0
InChi Code:InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.8

experimental value

4.07

Eq1: Linear correlation with logP (Training set)

4.10

Eq2: Non-linear regression model (Training set)

4.54

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

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