Molecule ID: mol17974
SMILES: O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cccc2c1
InChI: InChI=1S/C24H19F3N4O2S2/c25-24(26,27)17-4-6-21(22(13-17)15-8-10-28-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)35(32,33)31-23-29-14-30-34-23/h1-8,12-14,28H,9-11H2,(H,29,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Baltruschat ChEMBL | 1 » 0 |