Molecule ID: mol21603
SMILES: COc1cc(Nc2c3ccccc3nc3cccc([N+](=O)[O-])c23)ccc1NS(C)(=O)=O
InChI: InChI=1S/C21H18N4O5S/c1-30-19-12-13(10-11-16(19)24-31(2,28)29)22-21-14-6-3-4-7-15(14)23-17-8-5-9-18(20(17)21)25(26)27/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.98 | OCHEM | 1 » 0 |
| 4.98 | Baltruschat ChEMBL | 1 » 0 |