Molecule ID: mol24613
SMILES: CCN1CCN(c2ccccc2)CC1
InChI: InChI=1S/C12H18N2/c1-2-13-8-10-14(11-9-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.80 | AttenGpKa training set | 1 » 0 |