Molecule ID: mol7840
SMILES: COc1cccc2cnc(N)nc12
InChI: InChI=1S/C9H9N3O/c1-13-7-4-2-3-6-5-11-9(10)12-8(6)7/h2-5H,1H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | QSARToolbox | 1 » 0 |
| 4.58 | IUPAC digitized pKa | 1 » 0 |
| 4.58 | OCHEM | 1 » 0 |