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: | 1738 | |
|---|---|---|
| Name: | 1-nitro-4-phenoxybenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Nitrophenyl phenyl ether The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 620-88-2 | |
| InChi Code: | InChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.91 |
experimental value |
| 5.1158 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022087 | US EPA CompTox Dashboard |