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:411
Name:Pyroxychlor
Description:
Labels:training, Aromatic_Heterocycles
CAS:7159-34-4
InChi Code:InChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.48

experimental value

3.02

Eq1: Linear correlation with logP (Training set)

2.91

Eq2: Non-linear regression model (Training set)

2.91

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

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