Molecule ID: mol1615
SMILES: Cc1cc(O)nc(C)n1
InChI: InChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | QSARToolbox | 1 » 0 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | IUPAC digitized pKa | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |
| 9.82 | Hunt | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |