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 |