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:514
Name:EPN
Description:
Labels:training, Organic_phosphides
CAS:2104-64-5
InChi Code:InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.12

experimental value

3.5

Eq1: Linear correlation with logP (Training set)

3.43

Eq2: Non-linear regression model (Training set)

3.43

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

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