Molecule ID: mol10715
SMILES: CN(CCN(C)CC(=O)O)CC(=O)O
InChI: InChI=1S/C8H16N2O4/c1-9(5-7(11)12)3-4-10(2)6-8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | IUPAC digitized pKa | 0 » -1 |
| 5.93 | IUPAC digitized pKa | 0 » -1 |
| 5.99 | AttenGpKa training set | 0 » -1 |
| 6.05 | IUPAC digitized pKa | 0 » -1 |
| 6.17 | IUPAC digitized pKa | 0 » -1 |
| 6.29 | IUPAC digitized pKa | 0 » -1 |
| 9.68 | IUPAC digitized pKa | -1 » -2 |
| 9.88 | IUPAC digitized pKa | -1 » -2 |
| 9.98 | AttenGpKa training set | -1 » -2 |
| 10.07 | IUPAC digitized pKa | -1 » -2 |
| 10.27 | IUPAC digitized pKa | -1 » -2 |
| 10.45 | IUPAC digitized pKa | -1 » -2 |