Molecule ID: mol24641
SMILES: CCCCN1CCN(c2ccccc2)CC1
InChI: InChI=1S/C14H22N2/c1-2-3-9-15-10-12-16(13-11-15)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.84 | QSARToolbox | 1 » 0 |
| 7.94 | AttenGpKa training set | 1 » 0 |