Molecule ID: mol9314
SMILES: C/C(=C/C(=O)O)C(=O)O
InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | IUPAC digitized pKa | 0 » -1 |
| 2.29 | QSARToolbox | 0 » -1 |
| 2.38 | AttenGpKa training set | 0 » -1 |
| 2.55 | IUPAC digitized pKa | 0 » -1 |
| 2.80 | IUPAC digitized pKa | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 5.60 | IUPAC digitized pKa | -1 » -2 |
| 5.98 | QSARToolbox | -1 » -2 |
| 6.10 | IUPAC digitized pKa | -1 » -2 |
| 6.12 | AttenGpKa training set | -1 » -2 |
| 6.15 | QSARToolbox | -1 » -2 |
| 6.30 | IUPAC digitized pKa | -1 » -2 |