Molecule ID: mol17837
SMILES: CN[C@@H]1CCN(c2cc(C(F)(F)F)nc(N)n2)C1
InChI: InChI=1S/C10H14F3N5/c1-15-6-2-3-18(5-6)8-4-7(10(11,12)13)16-9(14)17-8/h4,6,15H,2-3,5H2,1H3,(H2,14,16,17)/t6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 2 » 1 |
| 3.10 | Baltruschat ChEMBL | 2 » 1 |
| 3.10 | Baltruschat ChEMBL | 2 » 1 |