Molecule ID: mol17178
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.34 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | OCHEM | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |