Molecule ID: mol4708
SMILES: Nc1cnc2ncncc2n1
InChI: InChI=1S/C6H5N5/c7-5-2-9-6-4(11-5)1-8-3-10-6/h1-3H,(H2,7,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.13 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | AttenGpKa training set | 1 » 0 |
| 4.15 | QSARToolbox | 1 » 0 |