Molecule ID: mol18268
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12
InChI: InChI=1S/C21H18N4O5S/c1-30-19-12-13(24-31(2,28)29)10-11-17(19)23-20-14-6-3-4-8-16(14)22-21-15(20)7-5-9-18(21)25(26)27/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.05 | OCHEM | 1 » 0 |
| 5.05 | Baltruschat ChEMBL | 1 » 0 |