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:1805
Name:2,4-dichlorobenzene-1-carboximidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-Dichlorobenzamide
Labels:
CAS:2447-79-2
InChi Code:InChI=1S/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)

Properties

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

ValueSource or prediction
3.3

experimental value

3.9676

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