Molecule ID: mol4824
SMILES: COc1ncnc2nccnc12
InChI: InChI=1S/C7H6N4O/c1-12-7-5-6(10-4-11-7)9-3-2-8-5/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.04 | QSARToolbox | 1 » 0 |
| 1.04 | IUPAC digitized pKa | 1 » 0 |
| 1.04 | Datawarrior | 1 » 0 |
| 1.04 | OCHEM | 1 » 0 |
| 1.04 | AttenGpKa training set | 1 » 0 |