Molecule ID: mol14846
SMILES: Oc1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1
InChI: InChI=1S/C12H9N5O/c18-9-3-1-8(2-4-9)5-13-12-14-6-10-11(17-12)16-7-15-10/h1-7,18H,(H,14,15,16,17)/b13-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.27 | Datawarrior | 1 » 0 |
| 8.62 | Datawarrior | 0 » -1 |