Molecule ID: mol3393
SMILES: O=C(O)c1ccccc1/N=N/c1ccc(O)cc1
InChI: InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.26 | AttenGpKa training set | 2 » 1 |
| 3.66 | QSARToolbox | 1 » 0 |
| 8.20 | IUPAC digitized pKa | -1 » -2 |
| 8.20 | AttenGpKa training set | -1 » -2 |