Molecule ID: mol18184
SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)C(F)(F)F)nc(SCc2ccccc2)n1
InChI: InChI=1S/C15H17F3N4O3S2/c1-10(8-23)19-12-7-13(22-27(24,25)15(16,17)18)21-14(20-12)26-9-11-5-3-2-4-6-11/h2-7,10,23H,8-9H2,1H3,(H2,19,20,21,22)/t10-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | Baltruschat ChEMBL | 0 » -1 |