Molecule ID: mol7609
SMILES: Nc1nc(S)nc(S)n1
InChI: InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | AttenGpKa training set | 0 » -1 |
| 8.20 | IUPAC digitized pKa | -1 » -2 |
| 8.20 | AttenGpKa training set | -1 » -2 |