Molecule ID: mol10714
SMILES: CC(NCCNC(C)C(=O)O)C(=O)O
InChI: InChI=1S/C8H16N2O4/c1-5(7(11)12)9-3-4-10-6(2)8(13)14/h5-6,9-10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.59 | IUPAC digitized pKa | 0 » -1 |
| 6.69 | IUPAC digitized pKa | 0 » -1 |
| 6.69 | QSARToolbox | 0 » -1 |
| 9.48 | IUPAC digitized pKa | -1 » -2 |
| 9.58 | IUPAC digitized pKa | -1 » -2 |