Molecule ID: mol28665
SMILES: O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChI: InChI=1S/C13H10N2O5S/c16-13(10-5-2-1-3-6-10)14-21(19,20)12-8-4-7-11(9-12)15(17)18/h1-9H,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | AttenGpKa training set | 0 » -1 |