Molecule ID: mol1675
SMILES: Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChI: InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.23 | OCHEM | 1 » 0 |
| 0.23 | Hunt | 1 » 0 |
| 0.23 | OCHEM | 1 » 0 |
| 0.23 | OCHEM | 1 » 0 |
| 0.23 | OCHEM | 1 » 0 |
| 0.23 | QSARToolbox | 1 » 0 |
| 0.25 | OCHEM | 1 » 0 |
| 0.25 | OCHEM | 1 » 0 |
| 0.26 | QSARToolbox | 1 » 0 |
| 0.30 | OCHEM | 1 » 0 |
| 0.30 | OCHEM | 1 » 0 |
| 0.30 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.47 | QSARToolbox | 1 » 0 |
| 0.47 | AttenGpKa training set | 1 » 0 |