Molecule ID: mol5365
SMILES: O=C(O)CN(CCO)CCO
InChI: InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.68 | IUPAC digitized pKa | 1 » 0 |
| 1.81 | IUPAC digitized pKa | 1 » 0 |
| 1.99 | IUPAC digitized pKa | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 7.91 | IUPAC digitized pKa | 0 » -1 |
| 7.98 | IUPAC digitized pKa | 0 » -1 |
| 8.04 | IUPAC digitized pKa | 0 » -1 |
| 8.08 | IUPAC digitized pKa | 0 » -1 |
| 8.08 | OCHEM | 0 » -1 |
| 8.09 | QSARToolbox | 0 » -1 |
| 8.11 | QSARToolbox | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.14 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.26 | IUPAC digitized pKa | 0 » -1 |
| 8.27 | IUPAC digitized pKa | 0 » -1 |
| 8.27 | QSARToolbox | 0 » -1 |
| 8.29 | AttenGpKa training set | 0 » -1 |
| 8.29 | QSARToolbox | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.33 | IUPAC digitized pKa | 0 » -1 |
| 8.35 | IUPAC digitized pKa | 0 » -1 |
| 8.41 | IUPAC digitized pKa | 0 » -1 |
| 8.41 | IUPAC digitized pKa | 0 » -1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 8.58 | IUPAC digitized pKa | 0 » -1 |
| 8.66 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.75 | IUPAC digitized pKa | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |