Molecule ID: mol5419
SMILES: CSCC[C@H](N)C(=O)O
InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | IUPAC digitized pKa | 1 » 0 |
| 2.12 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | OCHEM | 1 » 0 |
| 2.13 | OCHEM | 1 » 0 |
| 2.13 | AttenGpKa training set | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.22 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.69 | QSARToolbox | 1 » 0 |
| 8.87 | QSARToolbox | 0 » -1 |
| 8.92 | IUPAC digitized pKa | 0 » -1 |
| 8.92 | IUPAC digitized pKa | 0 » -1 |
| 9.04 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.27 | IUPAC digitized pKa | 0 » -1 |
| 9.28 | IUPAC digitized pKa | 0 » -1 |
| 9.28 | IUPAC digitized pKa | 0 » -1 |
| 9.28 | OCHEM | 0 » -1 |
| 9.28 | OCHEM | 0 » -1 |
| 9.29 | AttenGpKa training set | 0 » -1 |
| 9.31 | IUPAC digitized pKa | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.73 | IUPAC digitized pKa | 0 » -1 |
| 9.73 | IUPAC digitized pKa | 0 » -1 |