Molecule ID: mol20337
SMILES: Cc1cc([N+](=O)[O-])ccc1Nc1nn[nH]n1
InChI: InChI=1S/C8H8N6O2/c1-5-4-6(14(15)16)2-3-7(5)9-8-10-12-13-11-8/h2-4H,1H3,(H2,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | Baltruschat ChEMBL | 0 » -1 |