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:519
Name:Leptophos
Description:
Labels:training, Organic_phosphides
CAS:21609-90-5
InChi Code:InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.5

experimental value

4.63

Eq1: Linear correlation with logP (Training set)

4.79

Eq2: Non-linear regression model (Training set)

4.79

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

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