Molecule ID: mol7838
SMILES: COc1ccc2nc(N)ncc2c1
InChI: InChI=1S/C9H9N3O/c1-13-7-2-3-8-6(4-7)5-11-9(10)12-8/h2-5H,1H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.72 | QSARToolbox | 1 » 0 |
| 4.72 | IUPAC digitized pKa | 1 » 0 |
| 4.72 | OCHEM | 1 » 0 |