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:560
Name:Cycloate
Description:
Labels:training, Organic_sulfides
CAS:1134-23-2
InChi Code:InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.54

experimental value

3.05

Eq1: Linear correlation with logP (Training set)

2.94

Eq2: Non-linear regression model (Training set)

2.94

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

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