Molecule ID: mol6368
SMILES: Nc1cccc(O)n1
InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-5(8)7-4/h1-3H,(H3,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.12 | QSARToolbox | 2 » 1 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 11.38 | IUPAC digitized pKa | 0 » -1 |
| 11.38 | OCHEM | 0 » -1 |
| 11.38 | OCHEM | 0 » -1 |
| 11.38 | QSARToolbox | 0 » -1 |