Molecule ID: mol1895
SMILES: Cc1cccc(CN)c1
InChI: InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.33 | IUPAC digitized pKa | 1 » 0 |
| 9.37 | OCHEM | 1 » 0 |
| 9.37 | Datawarrior | 1 » 0 |
| 9.39 | OCHEM | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |
| 9.45 | IUPAC digitized pKa | 1 » 0 |
| 9.45 | Hunt | 1 » 0 |