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:674
Name:Oxyfluorofen
Description:
Labels:validation, Other_compounds
CAS:42874-03-3
InChi Code:InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5

experimental value

3.97

Eq1: Linear correlation with logP (Validation set)

3.98

Eq2: Non-linear regression model (Validation set)

3.98

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

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