Molecule ID: mol20902
SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnn[nH]3)c2)cn1
InChI: InChI=1S/C18H14F3N9OS/c1-2-23-17(31)26-14-4-11(16-25-13(8-32-16)18(19,20)21)12(7-24-14)9-3-10(6-22-5-9)15-27-29-30-28-15/h3-8H,2H2,1H3,(H2,23,24,26,31)(H,27,28,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Baltruschat ChEMBL | 0 » -1 |