Molecule ID: mol13159
SMILES: C1CCN(N2CCCC2)C1
InChI: InChI=1S/C8H16N2/c1-2-6-9(5-1)10-7-3-4-8-10/h1-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.16 | OCHEM | 2 » 1 |
| 7.16 | QSARToolbox | 2 » 1 |
| 7.16 | Datawarrior | 2 » 1 |
| 7.16 | AttenGpKa training set | 2 » 1 |