Molecule ID: mol6005
SMILES: CCOC(=O)c1cc(NCCO)c(C(=O)O)cc1NCCO
InChI: InChI=1S/C14H20N2O6/c1-2-22-14(21)10-8-11(15-3-5-17)9(13(19)20)7-12(10)16-4-6-18/h7-8,15-18H,2-6H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 5.89 | IUPAC digitized pKa | 0 » -1 |
| 5.95 | IUPAC digitized pKa | 0 » -1 |