Molecule ID: mol4629
SMILES: Oc1nc(O)c2ccccc2n1
InChI: InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 2.50 | AttenGpKa training set | 1 » 0 |
| 9.78 | QSARToolbox | 0 » -1 |
| 9.78 | QSARToolbox | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | AttenGpKa training set | 0 » -1 |
| 9.82 | IUPAC digitized pKa | 0 » -1 |