Molecule ID: mol13170
SMILES: Oc1cccc2[nH]ncc12
InChI: InChI=1S/C7H6N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h1-4,10H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | OCHEM | 0 » -1 |
| 8.65 | QSARToolbox | 0 » -1 |
| 8.65 | QSARToolbox | 0 » -1 |
| 8.65 | Datawarrior | 0 » -1 |
| 8.65 | AttenGpKa training set | 0 » -1 |