Molecule ID: mol3219
SMILES: CC(C)(N)C(C)(C)N
InChI: InChI=1S/C6H16N2/c1-5(2,7)6(3,4)8/h7-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.56 | Datawarrior | 2 » 1 |
| 6.56 | AttenGpKa training set | 2 » 1 |
| 6.90 | OCHEM | 2 » 1 |
| 9.87 | OCHEM | 2 » 1 |
| 10.13 | Datawarrior | 2 » 1 |
| 10.13 | OCHEM | 2 » 1 |
| 10.13 | AttenGpKa training set | 2 » 1 |