Molecule ID: mol28991
SMILES: CCCCCCC(C(=O)O)P(=O)(O)O
InChI: InChI=1S/C8H17O5P/c1-2-3-4-5-6-7(8(9)10)14(11,12)13/h7H,2-6H2,1H3,(H,9,10)(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 0 » -1 |
| 1.00 | AttenGpKa training set | 0 » -1 |
| 7.50 | QSARToolbox | -2 » -3 |
| 7.50 | AttenGpKa training set | -2 » -3 |