Molecule ID: mol11991
SMILES: O=C(O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(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 | QSARToolbox | 2 » 1 |
| 2.20 | IUPAC digitized pKa | -1 » -2 |
| 2.20 | IUPAC digitized pKa | -1 » -2 |
| 2.35 | IUPAC digitized pKa | 0 » -1 |
| 2.41 | IUPAC digitized pKa | 0 » -1 |
| 2.45 | IUPAC digitized pKa | 0 » -1 |
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 2.80 | QSARToolbox | 0 » -1 |
| 2.91 | IUPAC digitized pKa | 0 » -1 |
| 9.65 | IUPAC digitized pKa | -2 » -3 |
| 9.69 | IUPAC digitized pKa | -2 » -3 |
| 9.75 | IUPAC digitized pKa | -2 » -3 |
| 9.79 | IUPAC digitized pKa | -2 » -3 |
| 10.56 | IUPAC digitized pKa | -2 » -3 |
| 10.65 | IUPAC digitized pKa | -2 » -3 |
| 10.72 | IUPAC digitized pKa | -2 » -3 |
| 10.81 | IUPAC digitized pKa | -2 » -3 |