Molecule ID: mol11252
SMILES: O=C(O)C12CCC(C(=O)O)(CC1)CC2
InChI: InChI=1S/C10H14O4/c11-7(12)9-1-2-10(5-3-9,6-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.47 | IUPAC digitized pKa | -1 » -2 |
| 4.47 | AttenGpKa training set | 0 » -1 |
| 5.46 | IUPAC digitized pKa | 0 » -1 |
| 5.46 | AttenGpKa training set | 0 » -1 |