Molecule ID: mol30962
SMILES: COc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1
InChI: InChI=1S/C17H14N2O5S/c1-24-13-5-3-12(4-6-13)18-19-17-15-8-7-14(25(21,22)23)10-11(15)2-9-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.56 | AttenGpKa training set | 1 » 0 |
| 10.69 | QSARToolbox | -1 » -2 |