Molecule ID: mol7624
SMILES: Nc1nc(N)nc(S)n1
InChI: InChI=1S/C3H5N5S/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | AttenGpKa training set | 1 » 0 |
| 7.80 | Datawarrior | 0 » -1 |
| 7.80 | OCHEM | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | AttenGpKa training set | 0 » -1 |
| 10.20 | Datawarrior | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |