Molecule ID: mol20400
SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC
InChI: InChI=1S/C24H31N3O5S/c1-4-31-23-14-17(6-8-22(23)30-3)16-27-12-10-18(11-13-27)25-24-26-20-15-19(33(28,29)5-2)7-9-21(20)32-24/h6-9,14-15,18H,4-5,10-13,16H2,1-3H3,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | Baltruschat ChEMBL | 1 » 0 |