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:	2016
	Name:	1,3-bis(heptanoyloxy)propan-2-yl heptanoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2,3-Propanetriylheptanoate
	Labels:
	CAS:	620-67-7
	InChi Code:	InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3

Properties

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

Value	Source or prediction
2.04	experimental value
2.2041	Tab2.Model_7: Esters D. magna EC50 (Training set)