Molecule ID: mol16324
SMILES: Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(-c2ccccc2)nn1CC(=O)O
InChI: InChI=1S/C25H22N2O4S/c1-18-22(25(19-10-4-2-5-11-19)26-27(18)17-24(28)29)16-20-12-8-9-15-23(20)32(30,31)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | 0 » -1 |