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: | 1629 | |
|---|---|---|
| Name: | 2,4-dinitroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-Dinitroaniline The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 97-02-9 | |
| InChi Code: | InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.09 |
experimental value |
| 4.1636 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021823 | US EPA CompTox Dashboard |