Molecule ID: mol14643
SMILES: Cc1ccc(S(=O)(=O)NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C15H14N2O6S/c1-11-2-8-14(9-3-11)24(21,22)16-15(18)23-10-12-4-6-13(7-5-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | Datawarrior | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | AttenGpKa training set | 0 » -1 |