Molecule ID: mol7762
SMILES: Cc1ccc2c(S(=O)(=O)O)cc([N+](=O)[O-])c(O)c2n1
InChI: InChI=1S/C10H8N2O6S/c1-5-2-3-6-8(19(16,17)18)4-7(12(14)15)10(13)9(6)11-5/h2-4,13H,1H3,(H,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.70 | QSARToolbox | 1 » 0 |
| 0.70 | AttenGpKa training set | 1 » 0 |
| 6.24 | QSARToolbox | -1 » -2 |
| 6.24 | OCHEM | -1 » -2 |
| 6.24 | OCHEM | -1 » -2 |
| 6.24 | AttenGpKa training set | -1 » -2 |