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:	1608
	Name:	1-ethynylcyclohexan-1-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Ethynyl-cyclohexanol
	Labels:
	CAS:	78-27-3
	InChi Code:	InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
2.69	experimental value
3.1481	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID0021757	US EPA CompTox Dashboard