Molecule ID: mol21343
SMILES: CCc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12
InChI: InChI=1S/C22H21N3O2S/c1-3-15-7-6-9-19-21(15)24-20-10-5-4-8-18(20)22(19)23-16-11-13-17(14-12-16)25-28(2,26)27/h4-14,25H,3H2,1-2H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.14 | Baltruschat ChEMBL | 1 » 0 |