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: | 1615 | |
|---|---|---|
| Name: | 4-nitro-3-(trifluoromethyl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Trifluoromethyl-4-nitrophenol The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 88-30-2 | |
| InChi Code: | InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.36 |
experimental value |
| 4.3237 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021788 | US EPA CompTox Dashboard |