Molecule ID: mol19650
SMILES: CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(C(C)O)cccc32)c1
InChI: InChI=1S/C23H23ClN4O4S2/c1-14(29)18-7-4-8-19-22(18)23(27-34(31,32)21-10-9-20(24)33-21)26-28(19)13-17-6-3-5-16(11-17)12-25-15(2)30/h3-11,14,29H,12-13H2,1-2H3,(H,25,30)(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.62 | Baltruschat ChEMBL | 0 » -1 |