Molecule ID: mol2392
SMILES: CCN(c1ccccc1)C(C)(C)C
InChI: InChI=1S/C12H19N/c1-5-13(12(2,3)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | Datawarrior | 1 » 0 |
| 8.02 | Hunt | 1 » 0 |
| 8.02 | AttenGpKa training set | 1 » 0 |
| 8.02 | QSARToolbox | 1 » 0 |
| 8.02 | OCHEM | 1 » 0 |
| 8.20 | QSARToolbox | 1 » 0 |