Molecule ID: mol21319
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(OC)cccc12
InChI: InChI=1S/C22H20N4O6S/c1-31-19-6-4-5-16-21(15-9-8-14(26(27)28)12-18(15)24-22(16)19)23-17-10-7-13(11-20(17)32-2)25-33(3,29)30/h4-12,25H,1-3H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.68 | Baltruschat ChEMBL | 1 » 0 |