Molecule ID: mol12637
SMILES: Cc1ccc(NC(C)(C)C)cc1
InChI: InChI=1S/C11H17N/c1-9-5-7-10(8-6-9)12-11(2,3)4/h5-8,12H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Datawarrior | 1 » 0 |
| 7.30 | AttenGpKa training set | 1 » 0 |
| 7.30 | QSARToolbox | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |