Molecule ID: mol1896
SMILES: CNCc1ccccc1
InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.54 | IUPAC digitized pKa | 1 » 0 |
| 9.54 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.55 | OCHEM | 1 » 0 |
| 9.56 | IUPAC digitized pKa | 1 » 0 |
| 9.59 | IUPAC digitized pKa | 1 » 0 |
| 9.59 | OCHEM | 1 » 0 |
| 9.59 | Hunt | 1 » 0 |
| 9.64 | Datawarrior | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.66 | AttenGpKa training set | 1 » 0 |