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:403
Name:4-Vinylpyridine
Description:
Labels:training, Aromatic_Heterocycles
CAS:100-43-6
InChi Code:InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.18

experimental value

1.67

Eq1: Linear correlation with logP (Training set)

1.74

Eq2: Non-linear regression model (Training set)

1.74

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

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