Molecule ID: mol8086
SMILES: Nc1cnc2c(O)ncnc2n1
InChI: InChI=1S/C6H5N5O/c7-3-1-8-4-5(11-3)9-2-10-6(4)12/h1-2H,(H3,7,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.23 | AttenGpKa training set | 1 » 0 |
| 8.87 | AttenGpKa training set | 0 » -1 |
| 8.92 | IUPAC digitized pKa | 0 » -1 |