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:551
Name:Thioacetamide
Description:
Labels:training, Organic_sulfides
CAS:62-55-5
InChi Code:InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
0.78

experimental value

0.6

Eq1: Linear correlation with logP (Training set)

1.12

Eq2: Non-linear regression model (Training set)

1.12

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

Links to External Resources