Molecule ID: mol14487
SMILES: c1cc(-c2nnn[nH]2)ccc1-c1nnn[nH]1
InChI: InChI=1S/C8H6N8/c1-2-6(8-11-15-16-12-8)4-3-5(1)7-9-13-14-10-7/h1-4H,(H,9,10,13,14)(H,11,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | Datawarrior | -1 » -2 |
| 3.44 | QSARToolbox | -1 » -2 |
| 3.44 | OCHEM | -1 » -2 |