Molecule ID: mol20341
SMILES: O=[N+]([O-])c1ccc(Nc2nn[nH]n2)cc1
InChI: InChI=1S/C7H6N6O2/c14-13(15)6-3-1-5(2-4-6)8-7-9-11-12-10-7/h1-4H,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | Baltruschat ChEMBL | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |