Molecule ID: mol20111
SMILES: CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
InChI: InChI=1S/C28H33Cl2N3O6S/c1-28(2,32-16-25(35)20-7-8-24(34)23(13-20)33-40(3,38)39)14-18-6-4-5-17(9-18)12-26(36)31-15-19-10-21(29)27(37)22(30)11-19/h4-11,13,25,32-35,37H,12,14-16H2,1-3H3,(H,31,36)/t25-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.69 | Baltruschat ChEMBL | 1 » 0 |