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:672
Name:Nitrofen
Description:
Labels:validation, Other_compounds
CAS:1836-75-5
InChi Code:InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.7

experimental value

3.62

Eq1: Linear correlation with logP (Validation set)

3.57

Eq2: Non-linear regression model (Validation set)

3.57

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

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