Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	372
	Name:	1,6-diethyl hexanedioate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Diethyladipate
	Labels:
	CAS:	141-28-6
	InChi Code:	InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

Properties

M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
1.02	experimental value
1.2036	Tab2.Model_6: Esters P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID2021999	US EPA CompTox Dashboard