Molecule ID: mol4961
SMILES: CSc1ncnc2[nH]ncc12
InChI: InChI=1S/C6H6N4S/c1-11-6-4-2-9-10-5(4)7-3-8-6/h2-3H,1H3,(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | Datawarrior | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | QSARToolbox | 1 » 0 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | Datawarrior | 0 » -1 |
| 9.69 | IUPAC digitized pKa | 0 » -1 |