Molecule ID: mol11751
SMILES: CCCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C12H22N2O6/c1-2-3-4-13(7-10(15)16)5-6-14(8-11(17)18)9-12(19)20/h2-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 2 » 1 |
| 1.80 | QSARToolbox | 2 » 1 |
| 1.80 | IUPAC digitized pKa | 2 » 1 |
| 6.64 | IUPAC digitized pKa | -1 » -2 |
| 10.04 | IUPAC digitized pKa | -2 » -3 |