Molecule ID: mol13169
SMILES: Oc1ccc2[nH]cnc2c1
InChI: InChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | Datawarrior | 1 » 0 |
| 5.69 | OCHEM | 1 » 0 |
| 10.01 | Datawarrior | 0 » -1 |
| 10.01 | OCHEM | 0 » -1 |