Molecule ID: mol18263
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OCC(O)CO)cccc12
InChI: InChI=1S/C24H25N3O6S/c1-32-22-12-15(27-34(2,30)31)10-11-20(22)26-23-17-6-3-4-8-19(17)25-24-18(23)7-5-9-21(24)33-14-16(29)13-28/h3-12,16,27-29H,13-14H2,1-2H3,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |