Molecule ID: mol4677
SMILES: Cc1cnc2ccccc2n1
InChI: InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.95 | QSARToolbox | 1 » 0 |
| 0.95 | QSARToolbox | 1 » 0 |
| 0.95 | OCHEM | 1 » 0 |
| 0.95 | IUPAC digitized pKa | 1 » 0 |
| 0.95 | Datawarrior | 1 » 0 |
| 0.95 | OCHEM | 1 » 0 |