Molecule ID: mol26175
SMILES: CCN(CC)CCNc1ccnc2cc(C(F)(F)F)ccc12
InChI: InChI=1S/C16H20F3N3/c1-3-22(4-2)10-9-21-14-7-8-20-15-11-12(16(17,18)19)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | AttenGpKa training set | 2 » 1 |
| 7.65 | AttenGpKa training set | 1 » 0 |