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:	2012
	Name:	propan-2-yl tetradecanoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Isopropylmyristate
	Labels:
	CAS:	110-27-0
	InChi Code:	InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3

Properties

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

Value	Source or prediction
0.43	experimental value
1.1058	Tab2.Model_7: Esters D. magna EC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID0026838	US EPA CompTox Dashboard