Molecule ID: mol11113
SMILES: O=C(O)CSc1cccc(C(F)(F)F)c1
InChI: InChI=1S/C9H7F3O2S/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | IUPAC digitized pKa | 0 » -1 |
| 3.30 | AttenGpKa training set | 0 » -1 |