Molecule ID: mol11985
SMILES: O=C(O)CN(CC(=O)O)c1ccc(N(CC(=O)O)CC(=O)O)cc1
InChI: InChI=1S/C14H16N2O8/c17-11(18)5-15(6-12(19)20)9-1-2-10(4-3-9)16(7-13(21)22)8-14(23)24/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.79 | IUPAC digitized pKa | 0 » -1 |
| 4.99 | IUPAC digitized pKa | -2 » -3 |
| 6.01 | IUPAC digitized pKa | -3 » -4 |