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:697
Name:1-Aminonaphthalene
Description:
Labels:validation, Other_compounds
CAS:134-32-7
InChi Code:InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.51

experimental value

2.27

Eq1: Linear correlation with logP (Validation set)

2.2

Eq2: Non-linear regression model (Validation set)

2.20

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

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