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:	181
	Name:	Octylamine
	Description:
	Labels:
	CAS:	111-86-4
	InChi Code:	InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID8021939	US EPA CompTox Dashboard