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:	353
	Name:	Di-n-butylterephthalate
	Description:
	Labels:
	CAS:	1962-75-0
	InChi Code:	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID3022168	US EPA CompTox Dashboard