Molecule ID: mol10709
SMILES: O=C(O)CCN(CCO)CCC(=O)O
InChI: InChI=1S/C8H15NO5/c10-6-5-9(3-1-7(11)12)4-2-8(13)14/h10H,1-6H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | IUPAC digitized pKa | 1 » 0 |
| 3.93 | QSARToolbox | 0 » -1 |
| 8.91 | IUPAC digitized pKa | -1 » -2 |