Molecule ID: mol2282
SMILES: C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | Hunt | 0 » -1 |
| 4.40 | Baltruschat ChEMBL | 0 » -1 |