Molecule ID: mol3394
SMILES: O=C(O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChI: InChI=1S/C13H10N2O3/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17)18/h1-8,16H,(H,17,18)/b15-14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.64 | AttenGpKa training set | 2 » 1 |
| 7.90 | IUPAC digitized pKa | -1 » -2 |
| 7.90 | AttenGpKa training set | -1 » -2 |