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:642
Name:4-Dimethylaminoazobenzene
Description:
Labels:validation, Other_compounds
CAS:60-11-7
InChi Code:InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.87

experimental value

3.49

Eq1: Linear correlation with logP (Validation set)

3.41

Eq2: Non-linear regression model (Validation set)

3.41

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

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