Molecule ID: mol7841
SMILES: Cc1nc(N)nc2ccccc12
InChI: InChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | IUPAC digitized pKa | 1 » 0 |
| 5.31 | OCHEM | 1 » 0 |