Molecule ID: mol20340
SMILES: O=[N+]([O-])c1ccc(CNc2nn[nH]n2)cc1
InChI: InChI=1S/C8H8N6O2/c15-14(16)7-3-1-6(2-4-7)5-9-8-10-12-13-11-8/h1-4H,5H2,(H2,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.53 | OCHEM | 0 » -1 |
| 5.53 | Baltruschat ChEMBL | 0 » -1 |