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:	214
	Name:	Butanal
	Description:
	Labels:
	CAS:	123-72-8
	InChi Code:	InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID8021513	US EPA CompTox Dashboard