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:404
Name:2-Pyridineethanol
Description:
Labels:training, Aromatic_Heterocycles
CAS:103-74-2
InChi Code:InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.45

experimental value

0.83

Eq1: Linear correlation with logP (Training set)

1.24

Eq2: Non-linear regression model (Training set)

1.24

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

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