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:	45
	Name:	2-Butanone
	Description:
	Labels:
	CAS:	78-93-3
	InChi Code:	InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

Properties

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

Value	Source or prediction
1.35	experimental value
2.09	Eq9: General validated correlation, logP free (Training set)

Links to External Resources

Link	Resource description
DTXSID3021516	US EPA CompTox Dashboard