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:	1725
	Name:	N-(prop-2-en-1-yl)aniline
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: N-Allylaniline
	Labels:
	CAS:	589-09-3
	InChi Code:	InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2

Properties

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

Value	Source or prediction
3.57	experimental value
3.7594	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID5022065	US EPA CompTox Dashboard