Molecule ID: mol30941
SMILES: O=S(=O)(O)c1ccc2c(/N=N/c3ccccc3)c(O)ccc2c1
InChI: InChI=1S/C16H12N2O4S/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12/h1-10,19H,(H,20,21,22)/b18-17+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.89 | AttenGpKa training set | 2 » 1 |
| 10.43 | AttenGpKa training set | -1 » -2 |
| 10.66 | QSARToolbox | -1 » -2 |