Molecule ID: mol12714
SMILES: NC(Cc1c[nH]c(=S)[nH]1)C(=O)O
InChI: InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.84 | Datawarrior | 1 » 0 |
| 1.84 | OCHEM | 1 » 0 |
| 1.84 | QSARToolbox | 1 » 0 |
| 8.47 | Datawarrior | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 11.40 | Datawarrior | -1 » -2 |