Molecule ID: mol15928
SMILES: NC(=O)CS
InChI: InChI=1S/C2H5NOS/c3-2(4)1-5/h5H,1H2,(H2,3,4)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | AttenGpKa training set | 0 » -1 |
| 8.22 | Datawarrior | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.22 | OCHEM | 0 » -1 |