Molecule ID: mol18599
SMILES: COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1
InChI: InChI=1S/C21H19N3O3S/c1-27-16-11-12-18-20(13-16)23-19-6-4-3-5-17(19)21(18)22-14-7-9-15(10-8-14)24-28(2,25)26/h3-13,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.57 | Baltruschat ChEMBL | 1 » 0 |
| 7.57 | Baltruschat ChEMBL | 1 » 0 |
| 7.57 | Baltruschat ChEMBL | 1 » 0 |