Molecule ID: mol21606
SMILES: COc1cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)ccc1NS(C)(=O)=O
InChI: InChI=1S/C21H18N4O5S/c1-30-19-12-13(10-11-17(19)24-31(2,28)29)22-20-14-6-3-4-8-16(14)23-21-15(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 |