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:	1749
	Name:	decan-2-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Decanone
	Labels:
	CAS:	693-54-9
	InChi Code:	InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3

Properties

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

Value	Source or prediction
4.51	experimental value
4.9612	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID9022104	US EPA CompTox Dashboard