Molecule ID: mol17177
SMILES: CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C21H20N4O2S/c1-22-20-13-14(25-28(2,26)27)11-12-19(20)24-21-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)21/h3-13,22,25H,1-2H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.47 | Baltruschat ChEMBL | 1 » 0 |