Molecule ID: mol21591
SMILES: CCCN1CCN(c2cccc(C#N)c2)CC1
InChI: InChI=1S/C14H19N3/c1-2-6-16-7-9-17(10-8-16)14-5-3-4-13(11-14)12-15/h3-5,11H,2,6-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.67 | OCHEM | 1 » 0 |
| 7.67 | Baltruschat ChEMBL | 1 » 0 |
| 7.67 | AttenGpKa training set | 1 » 0 |