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:	1712
	Name:	nonan-5-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 5-Nonanone
	Labels:
	CAS:	502-56-7
	InChi Code:	InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3

Properties

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

Value	Source or prediction
3.66	experimental value
4.6032	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID7022045	US EPA CompTox Dashboard