Molecule ID: mol8588
SMILES: O=C(O)CNC(CO)(CO)CO
InChI: InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | QSARToolbox | 1 » 0 |
| 2.02 | QSARToolbox | 1 » 0 |
| 2.02 | QSARToolbox | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.86 | QSARToolbox | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.98 | QSARToolbox | 0 » -1 |
| 7.98 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.13 | AttenGpKa training set | 0 » -1 |
| 8.15 | IUPAC digitized pKa | 0 » -1 |
| 8.60 | IUPAC digitized pKa | 0 » -1 |