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:	1975
	Name:	5-chloro-2,7-bis(trifluoromethyl)-1H-1,3-benzodiazole
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-Bis(trifluoromethyl)-6-chlorobenzimidazole
	Labels:
	CAS:	89427-09-8
	InChi Code:	InChI=1S/C9H3ClF6N2/c10-3-1-4(8(11,12)13)6-5(2-3)17-7(18-6)9(14,15)16/h1-2H,(H,17,18)

Properties

M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i

Value	Source or prediction
5.24	experimental value
4.753	Tab2.Model_14: PFC oral rat LD50 (Training set)