Molecule ID: mol19962
SMILES: CN[C@@H]1CCN(c2cc(CCC(F)(F)F)nc(N)n2)C1
InChI: InChI=1S/C12H18F3N5/c1-17-9-3-5-20(7-9)10-6-8(18-11(16)19-10)2-4-12(13,14)15/h6,9,17H,2-5,7H2,1H3,(H2,16,18,19)/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | OCHEM | 2 » 1 |
| 7.80 | Baltruschat ChEMBL | 2 » 1 |