Molecule ID: mol24498
SMILES: CN1CCN(C)CC1
InChI: InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | QSARToolbox | 2 » 1 |
| 4.60 | AttenGpKa training set | 2 » 1 |
| 4.63 | QSARToolbox | 2 » 1 |
| 8.54 | OCHEM | 1 » 0 |
| 8.54 | OCHEM | 1 » 0 |
| 8.54 | AttenGpKa training set | 1 » 0 |