Molecule ID: mol21314
SMILES: CCc1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1
InChI: InChI=1S/C23H23N3O3S/c1-4-15-9-11-20-18(13-15)23(17-7-5-6-8-19(17)24-20)25-21-12-10-16(14-22(21)29-2)26-30(3,27)28/h5-14,26H,4H2,1-3H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.46 | Baltruschat ChEMBL | 1 » 0 |