Molecule ID: mol3725
SMILES: CC(C)c1ccccn1
InChI: InChI=1S/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.83 | OCHEM | 1 » 0 |
| 5.83 | QSARToolbox | 1 » 0 |
| 5.83 | QSARToolbox | 1 » 0 |
| 5.83 | IUPAC digitized pKa | 1 » 0 |
| 5.83 | Datawarrior | 1 » 0 |
| 5.83 | OCHEM | 1 » 0 |
| 5.83 | OCHEM | 1 » 0 |
| 5.83 | OCHEM | 1 » 0 |
| 5.89 | AttenGpKa training set | 1 » 0 |