Molecule ID: mol8326
SMILES: CS(=O)(=O)c1nc2ncncc2[nH]1
InChI: InChI=1S/C6H6N4O2S/c1-13(11,12)6-9-4-2-7-3-8-5(4)10-6/h2-3H,1H3,(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.42 | IUPAC digitized pKa | 1 » 0 |
| 0.42 | AttenGpKa training set | 1 » 0 |
| 4.87 | AttenGpKa training set | 0 » -1 |
| 4.90 | IUPAC digitized pKa | 0 » -1 |