Molecule ID: mol1436
SMILES: Cc1nc2ccccc2nc1O
InChI: InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.48 | QSARToolbox | 1 » 0 |
| 0.48 | OCHEM | 1 » 0 |
| 0.48 | Datawarrior | 1 » 0 |
| 9.88 | Datawarrior | 0 » -1 |
| 9.88 | OCHEM | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 9.90 | Hunt | 0 » -1 |