Molecule ID: mol1089
SMILES: Cc1cccc(C)c1N(C)C
InChI: InChI=1S/C10H15N/c1-8-6-5-7-9(2)10(8)11(3)4/h5-7H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Hunt | 1 » 0 |
| 4.62 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.56 | OCHEM | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.85 | OCHEM | 1 » 0 |
| 5.85 | QSARToolbox | 1 » 0 |
| 5.85 | Datawarrior | 1 » 0 |
| 5.98 | AttenGpKa training set | 1 » 0 |