Molecule ID: mol6029
SMILES: Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChI: InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.54 | AttenGpKa training set | 1 » 0 |
| -5.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -5.00 | OCHEM | 1 » 0 |
| -5.00 | OCHEM | 1 » 0 |