Molecule ID: mol2043
SMILES: O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChI: InChI=1S/C7H4N2O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.85 | OCHEM | 0 » -1 |
| 1.85 | Hunt | 0 » -1 |
| 1.85 | OCHEM | 0 » -1 |
| 1.85 | OCHEM | 0 » -1 |
| 1.85 | AttenGpKa training set | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |