Molecule ID: mol9082
SMILES: O=P(O)(O)OC(CO)CO
InChI: InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.26 | OCHEM | 0 » -1 |
| 1.37 | AttenGpKa training set | 0 » -1 |
| 1.51 | QSARToolbox | 0 » -1 |
| 1.51 | QSARToolbox | 0 » -1 |
| 1.55 | QSARToolbox | 0 » -1 |
| 6.00 | IUPAC digitized pKa | -1 » -2 |
| 6.34 | AttenGpKa training set | -1 » -2 |
| 6.60 | OCHEM | -1 » -2 |
| 6.71 | QSARToolbox | -1 » -2 |