Molecule ID: mol13489
SMILES: CCN(C)N(CC)CC
InChI: InChI=1S/C7H18N2/c1-5-8(4)9(6-2)7-3/h5-7H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | QSARToolbox | 2 » 1 |
| 7.30 | Datawarrior | 2 » 1 |
| 7.30 | AttenGpKa training set | 2 » 1 |
| 7.30 | OCHEM | 2 » 1 |