Molecule ID: mol4425
SMILES: O=Nc1ccc(O)c2ncccc12
InChI: InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 7.75 | OCHEM | 0 » -1 |