Molecule ID: mol1998
SMILES: OCCS
InChI: InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.17 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | QSARToolbox | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | OCHEM | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |
| 9.47 | Datawarrior | 0 » -1 |
| 9.47 | OCHEM | 0 » -1 |
| 9.48 | QSARToolbox | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.60 | Baltruschat ChEMBL | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.61 | AttenGpKa training set | 0 » -1 |
| 9.63 | QSARToolbox | 0 » -1 |
| 9.72 | IUPAC digitized pKa | 0 » -1 |
| 9.72 | OCHEM | 0 » -1 |
| 9.72 | Hunt | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.88 | OCHEM | 0 » -1 |
| 9.88 | OCHEM | 0 » -1 |
| 10.56 | QSARToolbox | 0 » -1 |