Molecule ID: mol12766
SMILES: Oc1ccc(-c2nnn[nH]2)cc1
InChI: InChI=1S/C7H6N4O/c12-6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | Datawarrior | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |