Molecule ID: mol1592
SMILES: COc1cccc(N)n1
InChI: InChI=1S/C6H8N2O/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | QSARToolbox | 1 » 0 |
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.64 | Hunt | 1 » 0 |
| 4.64 | OCHEM | 1 » 0 |