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: | 1737 | |
|---|---|---|
| Name: | 4-ethoxy-2-nitroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Ethoxy-2-nitroaniline The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 616-86-4 | |
| InChi Code: | InChI=1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.85 |
experimental value |
| 4.043 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8022084 | US EPA CompTox Dashboard |