Molecule ID: mol19228
SMILES: Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(cccc3[N+](=O)[O-])C2=O)c1
InChI: InChI=1S/C24H19N3O6S/c1-14-11-15(2)13-16(12-14)25-21-22(26-34(32,33)17-7-4-3-5-8-17)24(29)20-18(23(21)28)9-6-10-19(20)27(30)31/h3-13,25-26H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | OCHEM | 0 » -1 |
| 8.60 | Baltruschat ChEMBL | 0 » -1 |