Molecule ID: mol2368
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | QSARToolbox | 0 » -1 |
| 1.42 | QSARToolbox | 0 » -1 |
| 1.42 | QSARToolbox | 0 » -1 |
| 1.42 | QSARToolbox | 0 » -1 |
| 1.42 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | Hunt | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | AttenGpKa training set | 0 » -1 |
| 1.43 | QSARToolbox | 0 » -1 |
| 1.43 | OCHEM | 0 » -1 |
| 1.43 | OCHEM | 0 » -1 |