Molecule ID: mol20861
SMILES: CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
InChI: InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.30 | Baltruschat ChEMBL | 0 » -1 |