Molecule ID: mol21324
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccnc12
InChI: InChI=1S/C20H18N4O3S/c1-27-18-12-13(24-28(2,25)26)9-10-16(18)23-19-14-6-3-4-7-15(14)22-17-8-5-11-21-20(17)19/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.19 | Baltruschat ChEMBL | 1 » 0 |