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:644
Name:1-Phenylazo-2-naphthalenol
Description:
Labels:validation, Other_compounds
CAS:842-07-9
InChi Code:InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.58

experimental value

4.03

Eq1: Linear correlation with logP (Validation set)

4.06

Eq2: Non-linear regression model (Validation set)

4.06

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