Molecule ID: mol21571
SMILES: CCCN1CCN(c2ccccc2)CC1
InChI: InChI=1S/C13H20N2/c1-2-8-14-9-11-15(12-10-14)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.79 | QSARToolbox | 1 » 0 |
| 7.93 | AttenGpKa training set | 1 » 0 |
| 7.96 | OCHEM | 1 » 0 |
| 7.96 | Baltruschat ChEMBL | 1 » 0 |