Molecule ID: mol8264
SMILES: CSc1nc2nc(N)ncc2[nH]1
InChI: InChI=1S/C6H7N5S/c1-12-6-9-3-2-8-5(7)10-4(3)11-6/h2H,1H3,(H3,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | IUPAC digitized pKa | 1 » 0 |
| 4.40 | AttenGpKa training set | 1 » 0 |
| 8.48 | AttenGpKa training set | 0 » -1 |
| 8.53 | IUPAC digitized pKa | 0 » -1 |