Molecule ID: mol8208
SMILES: Sc1cnc2ncncc2n1
InChI: InChI=1S/C6H4N4S/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.06 | AttenGpKa training set | 0 » -1 |
| 5.78 | AttenGpKa training set | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |