Molecule ID: mol21600
SMILES: COc1cc(Nc2c3ccccc3nc3ccncc23)ccc1NS(C)(=O)=O
InChI: InChI=1S/C20H18N4O3S/c1-27-19-11-13(7-8-18(19)24-28(2,25)26)22-20-14-5-3-4-6-16(14)23-17-9-10-21-12-15(17)20/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.84 | OCHEM | 1 » 0 |
| 5.84 | Baltruschat ChEMBL | 1 » 0 |