Molecule ID: mol4825
SMILES: COc1cnc2ncncc2n1
InChI: InChI=1S/C7H6N4O/c1-12-6-3-9-7-5(11-6)2-8-4-10-7/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | AttenGpKa training set | 1 » 0 |