Molecule ID: mol3413
SMILES: CC(N)c1ccccc1
InChI: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.08 | IUPAC digitized pKa | 1 » 0 |
| 9.35 | IUPAC digitized pKa | 1 » 0 |
| 9.35 | OCHEM | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.36 | Datawarrior | 1 » 0 |
| 9.59 | IUPAC digitized pKa | 1 » 0 |
| 9.59 | AttenGpKa training set | 1 » 0 |
| 9.83 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |