Molecule ID: mol4455
SMILES: Cc1cccc2cccnc12
InChI: InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | AttenGpKa training set | 1 » 0 |
| 4.87 | OCHEM | 1 » 0 |
| 4.87 | Datawarrior | 1 » 0 |
| 4.91 | IUPAC digitized pKa | 1 » 0 |
| 4.98 | OCHEM | 1 » 0 |
| 5.05 | IUPAC digitized pKa | 1 » 0 |
| 5.05 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.05 | OCHEM | 1 » 0 |
| 5.05 | OCHEM | 1 » 0 |