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:659
Name:Benzidine
Description:
Labels:validation, Other_compounds
CAS:92-87-5
InChi Code:InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.5

experimental value

1.84

Eq1: Linear correlation with logP (Validation set)

1.87

Eq2: Non-linear regression model (Validation set)

1.87

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

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