Molecule ID: mol19210
SMILES: O=C1C(NS(=O)(=O)c2ccccc2)=C(c2ccoc2)C(=O)c2ccccc21
InChI: InChI=1S/C20H13NO5S/c22-19-15-8-4-5-9-16(15)20(23)18(17(19)13-10-11-26-12-13)21-27(24,25)14-6-2-1-3-7-14/h1-12,21H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | OCHEM | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |