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:544
Name:Fonofos
Description:
Labels:training, Organic_phosphides
CAS:944-22-9
InChi Code:InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.94

experimental value

2.77

Eq1: Linear correlation with logP (Training set)

2.66

Eq2: Non-linear regression model (Training set)

2.66

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

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