Molecule ID: mol3083
SMILES: CC(N)=S
InChI: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.51 | Datawarrior | 1 » 0 |
| -2.51 | OCHEM | 1 » 0 |
| -2.14 | AttenGpKa training set | 1 » 0 |
| -1.76 | IUPAC digitized pKa | 1 » 0 |
| 13.40 | QSARToolbox | 0 » -1 |
| 13.40 | QSARToolbox | 0 » -1 |
| 13.40 | IUPAC digitized pKa | 0 » -1 |
| 13.40 | AttenGpKa training set | 0 » -1 |