Molecule ID: mol8263
SMILES: CS(=O)(=O)c1nc2nc(N)ncc2[nH]1
InChI: InChI=1S/C6H7N5O2S/c1-14(12,13)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 |
|---|---|---|
| 2.08 | AttenGpKa training set | 1 » 0 |
| 5.61 | AttenGpKa training set | 0 » -1 |
| 5.66 | IUPAC digitized pKa | 0 » -1 |