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:435
Name:Thidiazuron
Description:
Labels:training, Aromatic_Heterocycles
CAS:51707-55-2
InChi Code:InChI=1S/C9H8N4OS/c14-9(11-8-6-15-13-12-8)10-7-4-2-1-3-5-7/h1-6H,(H2,10,11,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.04

experimental value

2.13

Eq1: Linear correlation with logP (Training set)

2.09

Eq2: Non-linear regression model (Training set)

2.09

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