Molecule ID: mol12457
SMILES: CCN(CC)N(C)C
InChI: InChI=1S/C6H16N2/c1-5-8(6-2)7(3)4/h5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.76 | QSARToolbox | 1 » 0 |
| 6.88 | Datawarrior | 1 » 0 |
| 6.88 | AttenGpKa training set | 1 » 0 |
| 6.88 | OCHEM | 1 » 0 |