Molecule ID: mol8442
SMILES: NC(=O)CN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.29 | Datawarrior | 0 » -1 |
| 2.29 | OCHEM | 0 » -1 |
| 2.30 | QSARToolbox | 0 » -1 |
| 2.30 | QSARToolbox | 0 » -1 |
| 2.30 | QSARToolbox | 0 » -1 |
| 2.30 | IUPAC digitized pKa | 0 » -1 |
| 2.30 | AttenGpKa training set | 0 » -1 |
| 6.45 | IUPAC digitized pKa | -1 » -2 |
| 6.56 | QSARToolbox | -1 » -2 |
| 6.60 | QSARToolbox | -1 » -2 |
| 6.60 | QSARToolbox | -1 » -2 |
| 6.60 | IUPAC digitized pKa | -1 » -2 |
| 6.60 | AttenGpKa training set | -1 » -2 |
| 6.62 | IUPAC digitized pKa | -1 » -2 |
| 6.85 | IUPAC digitized pKa | -1 » -2 |