Molecule ID: mol9035
SMILES: NC(C(=O)O)C(=O)O
InChI: InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | AttenGpKa training set | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | IUPAC digitized pKa | 0 » -1 |
| 9.83 | QSARToolbox | -1 » -2 |
| 9.83 | IUPAC digitized pKa | -1 » -2 |
| 9.83 | OCHEM | -1 » -2 |
| 9.83 | OCHEM | -1 » -2 |
| 9.83 | AttenGpKa training set | -1 » -2 |