Molecule ID: mol21305
SMILES: Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1
InChI: InChI=1S/C21H18N4O4S/c1-13-3-9-17-19(11-13)23-20-12-16(25(26)27)8-10-18(20)21(17)22-14-4-6-15(7-5-14)24-30(2,28)29/h3-12,24H,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.81 | Baltruschat ChEMBL | 1 » 0 |