Molecule ID: mol21702
SMILES: O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C13H10N2O4/c16-12-7-6-10(15(18)19)8-11(12)13(17)14-9-4-2-1-3-5-9/h1-8,16H,(H,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |