Molecule ID: mol19204
SMILES: O=C1C(NS(=O)(=O)c2ccccc2)=C(c2ccccc2Cl)C(=O)c2ccccc21
InChI: InChI=1S/C22H14ClNO4S/c23-18-13-7-6-12-17(18)19-20(24-29(27,28)14-8-2-1-3-9-14)22(26)16-11-5-4-10-15(16)21(19)25/h1-13,24H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | OCHEM | 0 » -1 |
| 4.90 | Baltruschat ChEMBL | 0 » -1 |