Molecule ID: mol12812
SMILES: Oc1ccc(O)c2ncccc12
InChI: InChI=1S/C9H7NO2/c11-7-3-4-8(12)9-6(7)2-1-5-10-9/h1-5,11-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 9.30 | Datawarrior | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |