Molecule ID: mol1227
SMILES: CC1(C)CN1
InChI: InChI=1S/C4H9N/c1-4(2)3-5-4/h5H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | QSARToolbox | 1 » 0 |
| 5.37 | OCHEM | 1 » 0 |
| 5.37 | Datawarrior | 1 » 0 |
| 5.38 | QSARToolbox | 1 » 0 |
| 8.61 | QSARToolbox | 1 » 0 |
| 8.61 | IUPAC digitized pKa | 1 » 0 |
| 8.61 | AttenGpKa training set | 1 » 0 |
| 8.63 | OCHEM | 1 » 0 |
| 8.64 | IUPAC digitized pKa | 1 » 0 |
| 8.64 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.64 | OCHEM | 1 » 0 |
| 8.64 | Hunt | 1 » 0 |
| 8.64 | QSARToolbox | 1 » 0 |