Molecule ID: mol9817
SMILES: O=C(O)CNCCNCC(=O)O
InChI: InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.42 | IUPAC digitized pKa | 0 » -1 |
| 6.42 | AttenGpKa training set | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 6.48 | IUPAC digitized pKa | 0 » -1 |
| 6.48 | QSARToolbox | 0 » -1 |
| 6.51 | QSARToolbox | 0 » -1 |
| 6.55 | IUPAC digitized pKa | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 9.16 | OCHEM | -1 » -2 |
| 9.16 | OCHEM | -1 » -2 |
| 9.46 | IUPAC digitized pKa | -1 » -2 |
| 9.46 | AttenGpKa training set | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |
| 9.57 | QSARToolbox | -1 » -2 |
| 9.57 | IUPAC digitized pKa | -1 » -2 |
| 9.62 | IUPAC digitized pKa | -1 » -2 |