Molecule ID: mol24651
SMILES: N[C@H]1C[C@](F)(c2ccc(C(F)(F)F)cc2)C1
InChI: InChI=1S/C11H11F4N/c12-10(5-9(16)6-10)7-1-3-8(4-2-7)11(13,14)15/h1-4,9H,5-6,16H2/t9-,10+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.66 | AttenGpKa training set | 1 » 0 |