Molecule ID: mol1931
SMILES: C/C=C/C=C/C(=O)O
InChI: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | Hunt | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.53 | Datawarrior | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |
| 4.63 | AttenGpKa training set | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |