Molecule ID: mol13107
SMILES: CCCN(C)N(C)CCC
InChI: InChI=1S/C8H20N2/c1-5-7-9(3)10(4)8-6-2/h5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | Datawarrior | 2 » 1 |
| 7.05 | AttenGpKa training set | 2 » 1 |
| 7.05 | QSARToolbox | 2 » 1 |
| 7.05 | OCHEM | 2 » 1 |