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:	123
	Name:	Dibutyl adipate
	Description:
	Labels:
	CAS:	105-99-7
	InChi Code:	InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID2021866	US EPA CompTox Dashboard