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:495
Name:Terbufos sulfone
Description:
Labels:training, Organic_phosphides
CAS:56070-16-7
InChi Code:InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.18

experimental value

2.56

Eq1: Linear correlation with logP (Training set)

2.46

Eq2: Non-linear regression model (Training set)

2.46

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

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