Molecule ID: mol3607
SMILES: Nc1cccnc1C(=O)O
InChI: InChI=1S/C6H6N2O2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,7H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.33 | IUPAC digitized pKa | 1 » 0 |
| 1.33 | Datawarrior | 1 » 0 |
| 1.33 | OCHEM | 1 » 0 |
| 7.18 | OCHEM | 0 » -1 |
| 7.18 | QSARToolbox | 0 » -1 |
| 7.18 | IUPAC digitized pKa | 0 » -1 |
| 7.18 | Datawarrior | 0 » -1 |