Molecule ID: mol19203
SMILES: O=C1C(NS(=O)(=O)c2ccccc2)=C(Oc2ccc(Br)cc2)C(=O)c2ccccc21
InChI: InChI=1S/C22H14BrNO5S/c23-14-10-12-15(13-11-14)29-22-19(24-30(27,28)16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)21(22)26/h1-13,24H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | OCHEM | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |