Molecule ID: mol13367
SMILES: O=C(O)c1ccc(-c2nnn[nH]2)cc1
InChI: InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | Datawarrior | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |