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:185
Name:2,3,6-Trichlorophenylacetic acid
Description:
Labels:training, Organic_acids
CAS:85-34-7
InChi Code:InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.8

experimental value

2.71

Eq1: Linear correlation with logP (Training set)

2.60

Eq2: Non-linear regression model (Training set)

2.2

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

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