Molecule ID: mol4707
SMILES: Nc1ncnc2nccnc12
InChI: InChI=1S/C6H5N5/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H,(H2,7,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.51 | QSARToolbox | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | AttenGpKa training set | 1 » 0 |