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:548
Name:Tribuphos
Description:
Labels:training, Organic_phosphides
CAS:78-48-8
InChi Code:InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.7

experimental value

4.51

Eq1: Linear correlation with logP (Training set)

4.64

Eq2: Non-linear regression model (Training set)

4.64

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

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