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:	1785
	Name:	4-hydroxy-3,5-diiodobenzonitrile
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,5-Diiodo-4-hydroxybenzonitrile
	Labels:
	CAS:	1689-83-4
	InChi Code:	InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Properties

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

Value	Source or prediction
4.74	experimental value
5.1805	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID8022161	US EPA CompTox Dashboard