Molecule ID: mol4452
SMILES: Cc1cccc2ncccc12
InChI: InChI=1S/C10H9N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | IUPAC digitized pKa | 1 » 0 |
| 4.62 | OCHEM | 1 » 0 |
| 4.62 | OCHEM | 1 » 0 |
| 4.62 | AttenGpKa training set | 1 » 0 |
| 4.91 | OCHEM | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |