Molecule ID: mol7669
SMILES: Nc1n[nH]c(N)n1
InChI: InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | AttenGpKa training set | 1 » 0 |
| 4.43 | IUPAC digitized pKa | 1 » 0 |
| 11.97 | AttenGpKa training set | 0 » -1 |
| 12.12 | IUPAC digitized pKa | 0 » -1 |