Molecule ID: mol5799
SMILES: CCN(N)CC
InChI: InChI=1S/C4H12N2/c1-3-6(5)4-2/h3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.63 | Datawarrior | 1 » 0 |
| 7.63 | OCHEM | 1 » 0 |
| 7.64 | AttenGpKa training set | 1 » 0 |
| 7.71 | IUPAC digitized pKa | 1 » 0 |
| 7.71 | OCHEM | 1 » 0 |