Molecule ID: mol20903
SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3noc(=O)[nH]3)c2)cn1
InChI: InChI=1S/C19H14F3N7O3S/c1-2-24-17(30)27-14-4-11(16-26-13(8-33-16)19(20,21)22)12(7-25-14)9-3-10(6-23-5-9)15-28-18(31)32-29-15/h3-8H,2H2,1H3,(H,28,29,31)(H2,24,25,27,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | Baltruschat ChEMBL | 0 » -1 |