Molecule ID: mol20338
SMILES: CN(c1ccc([N+](=O)[O-])cc1)c1nn[nH]n1
InChI: InChI=1S/C8H8N6O2/c1-13(8-9-11-12-10-8)6-2-4-7(5-3-6)14(15)16/h2-5H,1H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | Baltruschat ChEMBL | 0 » -1 |