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:580
Name:Thiodicarb
Description:
Labels:training, Organic_sulfides
CAS:59669-26-0
InChi Code:InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7-,12-8-

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.54

experimental value

2.59

Eq1: Linear correlation with logP (Training set)

2.49

Eq2: Non-linear regression model (Training set)

2.49

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