Molecule ID: mol1117
SMILES: CC(C)(N)c1ccccc1
InChI: InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.27 | Hunt | 1 » 0 |
| 10.38 | Datawarrior | 1 » 0 |
| 10.38 | OCHEM | 1 » 0 |
| 10.38 | AttenGpKa training set | 1 » 0 |
| 10.38 | QSARToolbox | 1 » 0 |