Molecule ID: mol21590
SMILES: CCCN1CCN(c2ccccc2C#N)CC1
InChI: InChI=1S/C14H19N3/c1-2-7-16-8-10-17(11-9-16)14-6-4-3-5-13(14)12-15/h3-6H,2,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | OCHEM | 1 » 0 |
| 7.92 | Baltruschat ChEMBL | 1 » 0 |
| 7.92 | AttenGpKa training set | 1 » 0 |