Molecule ID: mol19397
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCO)ccc12
InChI: InChI=1S/C23H23N3O5S/c1-30-22-13-15(26-32(2,28)29)7-10-20(22)25-23-17-5-3-4-6-19(17)24-21-14-16(31-12-11-27)8-9-18(21)23/h3-10,13-14,26-27H,11-12H2,1-2H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.36 | Baltruschat ChEMBL | 1 » 0 |