Molecule ID: mol12094
SMILES: CCCCCCCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C16H30N2O6/c1-2-3-4-5-6-7-8-17(11-14(19)20)9-10-18(12-15(21)22)13-16(23)24/h2-13H2,1H3,(H,19,20)(H,21,22)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 1 » 0 |
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 6.53 | IUPAC digitized pKa | -1 » -2 |
| 9.76 | IUPAC digitized pKa | -2 » -3 |