Molecule ID: mol2373
SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]
InChI: InChI=1S/C7H4N2O6/c10-7(11)5-3-4(8(12)13)1-2-6(5)9(14)15/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.62 | OCHEM | 0 » -1 |
| 1.62 | OCHEM | 0 » -1 |
| 1.62 | Hunt | 0 » -1 |
| 1.62 | OCHEM | 0 » -1 |
| 1.62 | OCHEM | 0 » -1 |
| 1.62 | AttenGpKa training set | 0 » -1 |
| 1.62 | QSARToolbox | 0 » -1 |
| 1.62 | QSARToolbox | 0 » -1 |
| 1.62 | QSARToolbox | 0 » -1 |