Molecule ID: mol21573
SMILES: CCCN1CCN(c2cccc(C)c2)CC1
InChI: InChI=1S/C14H22N2/c1-3-7-15-8-10-16(11-9-15)14-6-4-5-13(2)12-14/h4-6,12H,3,7-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.83 | OCHEM | 1 » 0 |
| 7.83 | Baltruschat ChEMBL | 1 » 0 |
| 7.83 | AttenGpKa training set | 1 » 0 |