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:620
Name:Bromoxynil
Description:
Labels:validation, Other_compounds
CAS:1689-84-5
InChi Code:InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.3

experimental value

2.83

Eq1: Linear correlation with logP (Validation set)

2.72

Eq2: Non-linear regression model (Validation set)

2.72

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

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