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:	1963
	Name:	(2,3,4,5,6-pentafluorophenyl)methanol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,5,6-pentafluorobenzyl alcohol
	Labels:
	CAS:	440-60-8
	InChi Code:	InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

Properties

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

Value	Source or prediction
2.343	experimental value
1.9342	Tab2.Model_14: PFC oral rat LD50 (Training set)