Molecule ID: mol11267
SMILES: O=C(O)CCCCCCCCC(=O)O
InChI: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | -1 » -2 |
| 4.50 | AttenGpKa training set | 0 » -1 |
| 4.58 | IUPAC digitized pKa | -1 » -2 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | IUPAC digitized pKa | -1 » -2 |
| 5.22 | IUPAC digitized pKa | 0 » -1 |
| 5.54 | IUPAC digitized pKa | 0 » -1 |
| 5.59 | QSARToolbox | 0 » -1 |
| 5.60 | QSARToolbox | 0 » -1 |
| 5.60 | QSARToolbox | 0 » -1 |
| 5.60 | IUPAC digitized pKa | 0 » -1 |