Molecule ID: mol929
SMILES: O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.48 | AttenGpKa training set | 0 » -1 |
| 0.65 | QSARToolbox | 0 » -1 |
| 0.65 | QSARToolbox | 0 » -1 |
| 0.65 | QSARToolbox | 0 » -1 |
| 0.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |
| 0.65 | Hunt | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |
| 0.65 | QSARToolbox | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |
| 0.65 | OCHEM | 0 » -1 |