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:499
Name:Piperophos
Description:
Labels:training, Organic_phosphides
CAS:24151-93-7
InChi Code:InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.44

experimental value

3.42

Eq1: Linear correlation with logP (Training set)

3.34

Eq2: Non-linear regression model (Training set)

3.34

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

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