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:671
Name:Chlornitrofen
Description:
Labels:validation, Other_compounds
CAS:1836-77-7
InChi Code:InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.9

experimental value

3.98

Eq1: Linear correlation with logP (Validation set)

3.99

Eq2: Non-linear regression model (Validation set)

3.99

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

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