Molecule ID: mol12768
SMILES: Oc1ccccc1-c1nnn[nH]1
InChI: InChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | Datawarrior | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |