Molecule ID: mol9913
SMILES: CC(C)C1NC(=S)NC1=O
InChI: InChI=1S/C6H10N2OS/c1-3(2)4-5(9)8-6(10)7-4/h3-4H,1-2H3,(H2,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | OCHEM | 0 » -1 |
| 8.70 | QSARToolbox | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | Datawarrior | 0 » -1 |
| 8.70 | AttenGpKa training set | 0 » -1 |