Molecule ID: mol1622
SMILES: O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1
InChI: InChI=1S/C10H7N3O3/c14-10-11-5-8(6-12-10)7-1-3-9(4-2-7)13(15)16/h1-6H,(H,11,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | QSARToolbox | 1 » 0 |
| 7.87 | OCHEM | 0 » -1 |
| 7.87 | OCHEM | 0 » -1 |
| 8.17 | IUPAC digitized pKa | 0 » -1 |
| 8.17 | Hunt | 0 » -1 |
| 8.17 | QSARToolbox | 0 » -1 |