Molecule ID: mol21586
SMILES: CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChI: InChI=1S/C14H19F3N2/c1-2-7-18-8-10-19(11-9-18)13-5-3-12(4-6-13)14(15,16)17/h3-6H,2,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.84 | OCHEM | 1 » 0 |
| 7.84 | Baltruschat ChEMBL | 1 » 0 |
| 7.84 | AttenGpKa training set | 1 » 0 |