Molecule ID: mol18595
SMILES: COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12
InChI: InChI=1S/C21H19N3O3S/c1-27-19-9-5-7-17-20(16-6-3-4-8-18(16)23-21(17)19)22-14-10-12-15(13-11-14)24-28(2,25)26/h3-13,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | Baltruschat ChEMBL | 1 » 0 |
| 7.15 | Baltruschat ChEMBL | 1 » 0 |
| 7.15 | Baltruschat ChEMBL | 1 » 0 |