Molecule ID: mol2061
SMILES: Cc1ccccc1NC(C)(C)C
InChI: InChI=1S/C11H17N/c1-9-7-5-6-8-10(9)12-11(2,3)4/h5-8,12H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.62 | QSARToolbox | 1 » 0 |
| 6.49 | QSARToolbox | 1 » 0 |
| 6.49 | QSARToolbox | 1 » 0 |
| 6.49 | OCHEM | 1 » 0 |
| 6.49 | IUPAC digitized pKa | 1 » 0 |
| 6.49 | Datawarrior | 1 » 0 |
| 6.49 | Hunt | 1 » 0 |
| 6.49 | OCHEM | 1 » 0 |
| 6.49 | AttenGpKa training set | 1 » 0 |