Molecule ID: mol33837
SMILES: O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.64 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | -1 » -2 |
| 5.33 | QSARToolbox | -1 » -2 |
| 5.33 | QSARToolbox | -1 » -2 |
| 9.73 | QSARToolbox | -2 » -3 |
| 9.73 | QSARToolbox | -2 » -3 |