Molecule ID: mol24499
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-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | QSARToolbox | 2 » 1 |
| 5.23 | AttenGpKa training set | 2 » 1 |
| 9.98 | AttenGpKa training set | 1 » 0 |