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:120
Name:Phenol
Description:
Labels:training, Phenols
CAS:108-95-2
InChi Code:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.43

experimental value

1.73

Eq1: Linear correlation with logP (Training set)

1.79

Eq2: Non-linear regression model (Training set)

1.79

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

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