Molecule ID: mol7666
SMILES: Cn1ncnc1N
InChI: InChI=1S/C3H6N4/c1-7-3(4)5-2-6-7/h2H,1H3,(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.23 | AttenGpKa training set | 1 » 0 |
| 4.29 | IUPAC digitized pKa | 1 » 0 |