Molecule ID: mol21585
SMILES: CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChI: InChI=1S/C14H19F3N2/c1-2-6-18-7-9-19(10-8-18)13-5-3-4-12(11-13)14(15,16)17/h3-5,11H,2,6-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | OCHEM | 1 » 0 |
| 7.81 | Baltruschat ChEMBL | 1 » 0 |
| 7.81 | AttenGpKa training set | 1 » 0 |