Molecule ID: mol21348
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccncc12
InChI: InChI=1S/C20H18N4O3S/c1-27-19-11-13(24-28(2,25)26)7-8-18(19)23-20-14-5-3-4-6-16(14)22-17-9-10-21-12-15(17)20/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.94 | Baltruschat ChEMBL | 1 » 0 |