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:186
Name:1-Naphthalene acetic acid
Description:
Labels:training, Organic_acids
CAS:86-87-3
InChi Code:InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.2

experimental value

2.54

Eq1: Linear correlation with logP (Training set)

2.45

Eq2: Non-linear regression model (Training set)

2.05

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

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