Molecule ID: mol9499
SMILES: CC1(C)NC(=S)NC1=O
InChI: InChI=1S/C5H8N2OS/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | IUPAC digitized pKa | 0 » -1 |
| 8.71 | Datawarrior | 0 » -1 |
| 8.71 | OCHEM | 0 » -1 |
| 8.71 | AttenGpKa training set | 0 » -1 |
| 8.71 | QSARToolbox | 0 » -1 |