Molecule ID: mol11992
SMILES: O=C(O)CN(CCCOCCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C14H24N2O9/c17-11(18)7-15(8-12(19)20)3-1-5-25-6-2-4-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.10 | QSARToolbox | -1 » -2 |
| 2.10 | IUPAC digitized pKa | -1 » -2 |
| 2.70 | IUPAC digitized pKa | -1 » -2 |
| 2.74 | IUPAC digitized pKa | -1 » -2 |
| 9.64 | IUPAC digitized pKa | -2 » -3 |
| 9.67 | IUPAC digitized pKa | -2 » -3 |
| 10.14 | IUPAC digitized pKa | -2 » -3 |
| 10.17 | IUPAC digitized pKa | -2 » -3 |