Molecule ID: mol20402
SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC
InChI: InChI=1S/C22H27ClN4O5S/c1-3-31-20-10-14(4-5-18(20)30-2)13-27-8-6-15(7-9-27)25-22-26-17-11-16(23)21(33(24,28)29)12-19(17)32-22/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H,25,26)(H2,24,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | Baltruschat ChEMBL | 1 » 0 |