Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

	ID:	92
	Name:	3-Pentanone
	Description:
	Labels:
	CAS:	96-22-0
	InChi Code:	InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

Properties

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

Value	Source or prediction
1.747	experimental value
2.503	Eq9: General validated correlation, logP free (Validation set)

Links to External Resources

Link	Resource description
DTXSID6021820	US EPA CompTox Dashboard