Molecule ID: mol23438
SMILES: O=C(O)Cc1cccc(C(F)(F)F)c1
InChI: InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | AttenGpKa training set | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |