Molecule ID: mol909
SMILES: O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChI: InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.14 | QSARToolbox | 0 » -1 |
| 1.14 | QSARToolbox | 0 » -1 |
| 1.14 | QSARToolbox | 0 » -1 |
| 1.14 | QSARToolbox | 0 » -1 |
| 1.14 | QSARToolbox | 0 » -1 |
| 1.14 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.14 | OCHEM | 0 » -1 |
| 1.14 | Hunt | 0 » -1 |
| 1.14 | OCHEM | 0 » -1 |
| 1.14 | OCHEM | 0 » -1 |
| 1.14 | AttenGpKa training set | 0 » -1 |