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:	1981
	Name:	(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: perfluoropentane
	Labels:
	CAS:	138495-42-8
	InChi Code:	InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H/t1-,2-/m0/s1

Properties

M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i

Value	Source or prediction
1.703	experimental value
1.1298	Tab2.Model_14: PFC oral rat LD50 (Training set)