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:127
Name:3-Methoxyphenol
Description:
Labels:training, Phenols
CAS:150-19-6
InChi Code:InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.5

experimental value

1.72

Eq1: Linear correlation with logP (Training set)

1.78

Eq2: Non-linear regression model (Training set)

1.78

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

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