Molecule ID: mol993
SMILES: CN(c1ccccc1)C(C)(C)C
InChI: InChI=1S/C11H17N/c1-11(2,3)12(4)10-8-6-5-7-9-10/h5-9H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.25 | QSARToolbox | 1 » 0 |
| 7.39 | QSARToolbox | 1 » 0 |
| 7.39 | QSARToolbox | 1 » 0 |
| 7.39 | IUPAC digitized pKa | 1 » 0 |
| 7.39 | Hunt | 1 » 0 |
| 7.39 | OCHEM | 1 » 0 |
| 7.41 | AttenGpKa training set | 1 » 0 |
| 7.50 | Datawarrior | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |
| 7.52 | QSARToolbox | 1 » 0 |
| 7.60 | QSARToolbox | 1 » 0 |