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:694
Name:Tridiphane
Description:
Labels:validation, Other_compounds
CAS:58138-08-2
InChi Code:InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.75

experimental value

3.6

Eq1: Linear correlation with logP (Validation set)

3.54

Eq2: Non-linear regression model (Validation set)

3.54

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

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