Molecule ID: mol20409
SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F
InChI: InChI=1S/C23H28ClFN4O5S/c1-3-32-19-9-14(10-20(22(19)25)33-4-2)13-29-7-5-15(6-8-29)27-23-28-17-11-16(24)21(35(26,30)31)12-18(17)34-23/h9-12,15H,3-8,13H2,1-2H3,(H,27,28)(H2,26,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.61 | Baltruschat ChEMBL | 1 » 0 |