Molecule ID: mol20789
SMILES: O=C(O)c1ccc2nc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1
InChI: InChI=1S/C29H26F3N3O5S/c30-29(31,32)39-23-4-2-1-3-20(23)25-21(26(40-34-25)15-5-6-15)14-38-19-12-17-8-9-18(13-19)35(17)28-33-22-10-7-16(27(36)37)11-24(22)41-28/h1-4,7,10-11,15,17-19H,5-6,8-9,12-14H2,(H,36,37)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | Baltruschat ChEMBL | 0 » -1 |