Molecule ID: mol18585
SMILES: Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12
InChI: InChI=1S/C21H19N3O2S/c1-14-6-5-8-18-20(14)23-19-9-4-3-7-17(19)21(18)22-15-10-12-16(13-11-15)24-27(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 |
| 7.15 | Baltruschat ChEMBL | 1 » 0 |