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:	352
	Name:	1,3-diethyl propanedioate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Diethylmalonate
	Labels:
	CAS:	105-53-3
	InChi Code:	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3

Properties

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

Value	Source or prediction
1.03	experimental value
0.5618	Tab2.Model_6: Esters P. promelas LC50 (Training set)

M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
-0.1	experimental value
-0.2445	Tab2.Model_7: Esters D. magna EC50 (Training set)