Molecule ID: mol13991
SMILES: O=c1[nH]c(=S)[nH]c2nc[nH]c12
InChI: InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.88 | Datawarrior | 0 » -1 |
| 5.88 | OCHEM | 0 » -1 |
| 5.88 | QSARToolbox | 0 » -1 |
| 5.90 | AttenGpKa training set | 0 » -1 |
| 10.27 | Datawarrior | -1 » -2 |