Molecule ID: mol7837
SMILES: COc1cccc2nc(N)ncc12
InChI: InChI=1S/C9H9N3O/c1-13-8-4-2-3-7-6(8)5-11-9(10)12-7/h2-5H,1H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.83 | QSARToolbox | 1 » 0 |
| 4.83 | IUPAC digitized pKa | 1 » 0 |
| 4.83 | OCHEM | 1 » 0 |