Molecule ID: mol14486
SMILES: c1cc(-c2nn[nH]n2)cc(-c2nnn[nH]2)c1
InChI: InChI=1S/C8H6N8/c1-2-5(7-9-13-14-10-7)4-6(3-1)8-11-15-16-12-8/h1-4H,(H,9,10,13,14)(H,11,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | Datawarrior | 0 » -1 |
| 3.38 | OCHEM | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |