Molecule ID: mol7839
SMILES: COc1ccc2cnc(N)nc2c1
InChI: InChI=1S/C9H9N3O/c1-13-7-3-2-6-5-11-9(10)12-8(6)4-7/h2-5H,1H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.01 | IUPAC digitized pKa | 1 » 0 |
| 5.01 | OCHEM | 1 » 0 |
| 5.10 | QSARToolbox | 1 » 0 |