10967/114 - QDB Compounds

QsarDB Repository

Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

ID:358
Name:2,4,5-Tribromoimidazole
Description:
Labels:
CAS:2034-22-2
InChi Code:InChI=1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]

ValueSource or prediction
4.697

experimental value

4.614

Eq9: General validated correlation, logP free (Validation set)

Links to External Resources