Molecule ID: mol9815
SMILES: NCCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C6H12N2O4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4,7H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | QSARToolbox | 0 » -1 |
| 5.58 | IUPAC digitized pKa | 0 » -1 |
| 5.58 | AttenGpKa training set | 0 » -1 |
| 11.05 | IUPAC digitized pKa | -1 » -2 |
| 11.05 | AttenGpKa training set | -1 » -2 |
| 11.05 | QSARToolbox | -1 » -2 |