Molecule ID: mol4242
SMILES: O=C(O)C1CSCN1
InChI: InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | IUPAC digitized pKa | 1 » 0 |
| 1.51 | AttenGpKa training set | 1 » 0 |
| 1.58 | Datawarrior | 1 » 0 |
| 1.58 | OCHEM | 1 » 0 |
| 6.14 | Datawarrior | 0 » -1 |
| 6.18 | OCHEM | 0 » -1 |
| 6.20 | AttenGpKa training set | 0 » -1 |
| 6.23 | Datawarrior | 0 » -1 |
| 6.30 | IUPAC digitized pKa | 0 » -1 |
| 6.36 | QSARToolbox | 0 » -1 |
| 6.36 | QSARToolbox | 0 » -1 |