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:656
Name:N-Nitrosodiphenylamine
Description:
Labels:validation, Other_compounds
CAS:86-30-6
InChi Code:InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.08

experimental value

2.69

Eq1: Linear correlation with logP (Validation set)

2.58

Eq2: Non-linear regression model (Validation set)

2.58

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

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