Molecule ID: mol21354
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12
InChI: InChI=1S/C21H18N4O5S/c1-30-20-11-13(24-31(2,28)29)7-9-19(20)23-21-15-5-3-4-6-17(15)22-18-10-8-14(25(26)27)12-16(18)21/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.63 | Baltruschat ChEMBL | 1 » 0 |