Molecule ID: mol1379
SMILES: CC(C)(C)C(=O)O
InChI: InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.03 | IUPAC digitized pKa | 0 » -1 |
| 5.03 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | Hunt | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | IUPAC digitized pKa | 0 » -1 |
| 5.04 | OCHEM | 0 » -1 |
| 5.04 | IUPAC digitized pKa | 0 » -1 |
| 5.04 | Datawarrior | 0 » -1 |
| 5.04 | OCHEM | 0 » -1 |
| 5.05 | QSARToolbox | 0 » -1 |
| 5.05 | QSARToolbox | 0 » -1 |
| 5.06 | QSARToolbox | 0 » -1 |
| 5.06 | QSARToolbox | 0 » -1 |
| 5.07 | AttenGpKa training set | 0 » -1 |
| 5.14 | QSARToolbox | 0 » -1 |
| 5.14 | QSARToolbox | 0 » -1 |
| 5.20 | QSARToolbox | 0 » -1 |
| 5.32 | QSARToolbox | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |