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:1698
Name:2,5-dinitrophenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,5-Dinitrophenol The representation of nitro groups was fixed
Labels:
CAS:329-71-5
InChi Code:InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H

Properties

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

ValueSource or prediction
4.74

experimental value

4.3463

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

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