Molecule ID: mol10473
SMILES: CCC(C(=O)O)(C(=O)O)C(C)C
InChI: InChI=1S/C8H14O4/c1-4-8(5(2)3,6(9)10)7(11)12/h5H,4H2,1-3H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | IUPAC digitized pKa | 0 » -1 |
| 2.02 | AttenGpKa training set | 0 » -1 |
| 2.03 | IUPAC digitized pKa | 0 » -1 |
| 2.18 | IUPAC digitized pKa | 0 » -1 |
| 2.52 | IUPAC digitized pKa | 0 » -1 |
| 7.93 | IUPAC digitized pKa | -1 » -2 |
| 8.10 | IUPAC digitized pKa | -1 » -2 |
| 8.29 | IUPAC digitized pKa | -1 » -2 |
| 8.29 | AttenGpKa training set | -1 » -2 |
| 8.73 | IUPAC digitized pKa | -1 » -2 |