Molecule ID: mol12565
SMILES: CN(C)c1ccc(N(C)C)cc1
InChI: InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.29 | QSARToolbox | 2 » 1 |
| 2.34 | AttenGpKa training set | 2 » 1 |
| 2.50 | Datawarrior | 2 » 1 |
| 2.50 | QSARToolbox | 2 » 1 |
| 6.05 | QSARToolbox | 1 » 0 |
| 6.32 | AttenGpKa training set | 1 » 0 |
| 6.35 | QSARToolbox | 1 » 0 |
| 6.35 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.35 | OCHEM | 1 » 0 |
| 6.37 | OCHEM | 1 » 0 |
| 6.37 | Datawarrior | 1 » 0 |
| 6.70 | QSARToolbox | 1 » 0 |