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:	1701
	Name:	3-(trifluoromethyl)benzonitrile
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: a,a,a-Trifluoro-m-tolunitrile
	Labels:
	CAS:	368-77-4
	InChi Code:	InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H

Properties

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

Value	Source or prediction
3.56	experimental value
3.8976	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID4022026	US EPA CompTox Dashboard