Molecule ID: mol18872
SMILES: O=S(=O)(c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C12H9F3N2O4S2/c13-12(14,15)23(20,21)17-10-6-7-16-8-11(10)22(18,19)9-4-2-1-3-5-9/h1-8H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | OCHEM | 1 » 0 |
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | Baltruschat ChEMBL | 0 » -1 |