Molecule ID: mol1911
SMILES: CC(C)(C)CNc1ccccc1
InChI: InChI=1S/C11H17N/c1-11(2,3)9-12-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | Datawarrior | 1 » 0 |
| 4.17 | Hunt | 1 » 0 |
| 4.17 | AttenGpKa training set | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |