Molecule ID: mol9837
SMILES: CCCCCCP(=O)(O)O
InChI: InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 0 » -1 |
| 2.50 | OCHEM | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | IUPAC digitized pKa | 0 » -1 |
| 2.60 | AttenGpKa training set | 0 » -1 |
| 7.90 | IUPAC digitized pKa | -1 » -2 |
| 7.90 | OCHEM | -1 » -2 |
| 7.90 | AttenGpKa training set | -1 » -2 |
| 8.20 | IUPAC digitized pKa | -1 » -2 |
| 8.25 | OCHEM | -1 » -2 |