Molecule ID: mol17313
SMILES: Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)C(F)(F)F
InChI: InChI=1S/C5H5F3N4O3S2/c1-12-3(10-2(13)5(6,7)8)16-4(11-12)17(9,14)15/h1H3,(H2,9,14,15)/b10-3-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | Baltruschat ChEMBL | 0 » -1 |