Molecule ID: mol24182
SMILES: Nc1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChI: InChI=1S/C10H6F9N/c11-7(12,5-2-1-3-6(20)4-5)8(13,14)9(15,16)10(17,18)19/h1-4H,20H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | QSARToolbox | 1 » 0 |
| 3.12 | AttenGpKa training set | 1 » 0 |