Molecule ID: mol3606
SMILES: Nc1ncccc1C(=O)O
InChI: InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 6.54 | IUPAC digitized pKa | 0 » -1 |
| 6.58 | IUPAC digitized pKa | 0 » -1 |
| 6.58 | OCHEM | 0 » -1 |
| 6.59 | Datawarrior | 0 » -1 |
| 6.59 | QSARToolbox | 0 » -1 |
| 6.59 | OCHEM | 0 » -1 |