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:	1687
	Name:	pentane-2,4-dione
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-Pentanedione
	Labels:
	CAS:	123-54-6
	InChi Code:	InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

Properties

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

Value	Source or prediction
2.87	experimental value
2.7619	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID4021979	US EPA CompTox Dashboard