Molecule ID: mol2252
SMILES: NC(CO)(CO)CO
InChI: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.76 | QSARToolbox | 1 » 0 |
| 5.76 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 7.21 | IUPAC digitized pKa | 1 » 0 |
| 7.32 | IUPAC digitized pKa | 1 » 0 |
| 7.33 | IUPAC digitized pKa | 1 » 0 |
| 7.44 | IUPAC digitized pKa | 1 » 0 |
| 7.44 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | IUPAC digitized pKa | 1 » 0 |
| 7.68 | IUPAC digitized pKa | 1 » 0 |
| 7.68 | IUPAC digitized pKa | 1 » 0 |
| 7.71 | QSARToolbox | 1 » 0 |
| 7.71 | QSARToolbox | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 1 » 0 |
| 7.81 | IUPAC digitized pKa | 1 » 0 |
| 7.93 | IUPAC digitized pKa | 1 » 0 |
| 7.93 | IUPAC digitized pKa | 1 » 0 |
| 7.94 | IUPAC digitized pKa | 1 » 0 |
| 7.94 | OCHEM | 1 » 0 |
| 7.94 | QSARToolbox | 1 » 0 |
| 7.94 | QSARToolbox | 1 » 0 |
| 8.01 | QSARToolbox | 1 » 0 |
| 8.01 | QSARToolbox | 1 » 0 |
| 8.01 | QSARToolbox | 1 » 0 |
| 8.02 | QSARToolbox | 1 » 0 |
| 8.02 | QSARToolbox | 1 » 0 |
| 8.02 | QSARToolbox | 1 » 0 |
| 8.03 | IUPAC digitized pKa | 1 » 0 |
| 8.06 | QSARToolbox | 1 » 0 |
| 8.07 | IUPAC digitized pKa | 1 » 0 |
| 8.07 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.07 | IUPAC digitized pKa | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.08 | IUPAC digitized pKa | 1 » 0 |
| 8.08 | IUPAC digitized pKa | 1 » 0 |
| 8.08 | QSARToolbox | 1 » 0 |
| 8.08 | QSARToolbox | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | Hunt | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |
| 8.08 | AvLiLuMoVe | 1 » 0 |
| 8.10 | IUPAC digitized pKa | 1 » 0 |
| 8.10 | QSARToolbox | 1 » 0 |
| 8.10 | QSARToolbox | 1 » 0 |
| 8.12 | IUPAC digitized pKa | 1 » 0 |
| 8.13 | AttenGpKa training set | 1 » 0 |
| 8.20 | QSARToolbox | 1 » 0 |
| 8.20 | QSARToolbox | 1 » 0 |
| 8.21 | IUPAC digitized pKa | 1 » 0 |
| 8.21 | IUPAC digitized pKa | 1 » 0 |
| 8.22 | QSARToolbox | 1 » 0 |
| 8.22 | QSARToolbox | 1 » 0 |
| 8.22 | IUPAC digitized pKa | 1 » 0 |
| 8.26 | QSARToolbox | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |
| 8.36 | IUPAC digitized pKa | 1 » 0 |
| 8.36 | IUPAC digitized pKa | 1 » 0 |
| 8.37 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.66 | IUPAC digitized pKa | 1 » 0 |
| 8.68 | IUPAC digitized pKa | 1 » 0 |
| 8.68 | IUPAC digitized pKa | 1 » 0 |
| 8.85 | IUPAC digitized pKa | 1 » 0 |
| 8.86 | IUPAC digitized pKa | 1 » 0 |