Molecule ID: mol30680
SMILES: Oc1ccc(/N=N/c2ccccc2)c(O)c1
InChI: InChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H/b14-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.29 | AttenGpKa training set | 2 » 1 |
| 1.69 | AttenGpKa training set | 1 » 0 |
| 6.44 | AttenGpKa training set | 0 » -1 |
| 13.10 | AttenGpKa training set | -1 » -2 |