Molecule ID: mol19229
SMILES: O=C1C(Nc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2c1cccc2[N+](=O)[O-]
InChI: InChI=1S/C22H15N3O6S/c26-21-16-12-7-13-17(25(28)29)18(16)22(27)20(19(21)23-14-8-3-1-4-9-14)24-32(30,31)15-10-5-2-6-11-15/h1-13,23-24H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | Baltruschat ChEMBL | 0 » -1 |