Molecule ID: mol4906
SMILES: CSc1nc2ncncc2[nH]1
InChI: InChI=1S/C6H6N4S/c1-11-6-9-4-2-7-3-8-5(4)10-6/h2-3H,1H3,(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | IUPAC digitized pKa | 1 » 0 |
| 2.95 | Datawarrior | 1 » 0 |
| 2.95 | OCHEM | 1 » 0 |
| 2.95 | AttenGpKa training set | 1 » 0 |
| 2.95 | AttenGpKa training set | 1 » 0 |
| 2.95 | QSARToolbox | 1 » 0 |
| 7.67 | Datawarrior | 0 » -1 |
| 7.67 | AttenGpKa training set | 0 » -1 |
| 7.67 | OCHEM | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |