Molecule ID: mol15861
SMILES: C[C@H](N)[C@@H](C)N
InChI: InChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | Datawarrior | 2 » 1 |
| 6.92 | AttenGpKa training set | 2 » 1 |
| 9.88 | Datawarrior | 2 » 1 |
| 9.97 | AttenGpKa training set | 2 » 1 |