10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1793
Name:2,4,5-tribromo-1H-imidazole
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4,5-Tribromoimidazole
Labels:
CAS:2034-22-2
InChi Code:InChI=1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
4.7

experimental value

4.1182

Tab2.Model_1: P. promelas LC50 (Training set)

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