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:	122
	Name:	Dibutyl fumarate
	Description:
	Labels:
	CAS:	105-75-9
	InChi Code:	InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID7021865	US EPA CompTox Dashboard