Molecule ID: mol9661
SMILES: Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 1 » 0 |
| 1.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | AttenGpKa training set | 1 » 0 |
| 4.37 | AttenGpKa training set | 0 » -1 |