Molecule ID: mol4145
SMILES: CNc1nc(N)c(N)c(O)n1
InChI: InChI=1S/C5H9N5O/c1-8-5-9-3(7)2(6)4(11)10-5/h6H2,1H3,(H4,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.44 | AttenGpKa training set | 1 » 0 |
| 10.63 | AttenGpKa training set | 0 » -1 |
| 10.66 | IUPAC digitized pKa | 0 » -1 |