Molecule ID: mol18873
SMILES: O=S(=O)(Nc1ccncc1[S+]([O-])c1ccccc1)C(F)(F)F
InChI: InChI=1S/C12H9F3N2O3S2/c13-12(14,15)22(19,20)17-10-6-7-16-8-11(10)21(18)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 |
| 5.69 | OCHEM | 0 » -1 |
| 5.69 | Baltruschat ChEMBL | 0 » -1 |