Molecule ID: mol20339
SMILES: O=[N+]([O-])c1ccc2c(c1)CCN2c1nn[nH]n1
InChI: InChI=1S/C9H8N6O2/c16-15(17)7-1-2-8-6(5-7)3-4-14(8)9-10-12-13-11-9/h1-2,5H,3-4H2,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | OCHEM | 0 » -1 |
| 4.02 | Baltruschat ChEMBL | 0 » -1 |