Molecule ID: mol16646
SMILES: NS(=O)(=O)c1cc2cc(CNCC(F)(F)F)sc2s1
InChI: InChI=1S/C9H9F3N2O2S3/c10-9(11,12)4-14-3-6-1-5-2-7(19(13,15)16)18-8(5)17-6/h1-2,14H,3-4H2,(H2,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | OCHEM | 1 » 0 |
| 3.75 | Baltruschat ChEMBL | 1 » 0 |