Molecule ID: mol2562
SMILES: Cc1ccc(CN)cc1
InChI: InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.36 | IUPAC digitized pKa | 1 » 0 |
| 9.36 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.36 | Hunt | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.45 | OCHEM | 1 » 0 |
| 9.46 | AttenGpKa training set | 1 » 0 |
| 9.51 | Datawarrior | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.54 | IUPAC digitized pKa | 1 » 0 |