Molecule ID: mol3964
SMILES: C[C@@H]1CN[C@@H](C)CN1
InChI: InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | IUPAC digitized pKa | 2 » 1 |
| 5.25 | QSARToolbox | 2 » 1 |
| 5.29 | Datawarrior | 2 » 1 |
| 5.34 | AttenGpKa training set | 2 » 1 |
| 9.66 | IUPAC digitized pKa | 1 » 0 |
| 9.69 | QSARToolbox | 1 » 0 |
| 9.76 | Datawarrior | 1 » 0 |
| 9.84 | AttenGpKa training set | 1 » 0 |