Molecule ID: mol870
SMILES: OCCNCCO
InChI: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.40 | IUPAC digitized pKa | 1 » 0 |
| 8.41 | IUPAC digitized pKa | 1 » 0 |
| 8.45 | QSARToolbox | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.58 | IUPAC digitized pKa | 1 » 0 |
| 8.63 | IUPAC digitized pKa | 1 » 0 |
| 8.68 | QSARToolbox | 1 » 0 |
| 8.76 | IUPAC digitized pKa | 1 » 0 |
| 8.78 | OCHEM | 1 » 0 |
| 8.78 | IUPAC digitized pKa | 1 » 0 |
| 8.86 | QSARToolbox | 1 » 0 |
| 8.88 | IUPAC digitized pKa | 1 » 0 |
| 8.88 | IUPAC digitized pKa | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.88 | AttenGpKa training set | 1 » 0 |
| 8.88 | QSARToolbox | 1 » 0 |
| 8.88 | QSARToolbox | 1 » 0 |
| 8.88 | IUPAC digitized pKa | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.88 | Hunt | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 8.92 | IUPAC digitized pKa | 1 » 0 |
| 8.94 | QSARToolbox | 1 » 0 |
| 8.96 | IUPAC digitized pKa | 1 » 0 |
| 8.96 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.97 | IUPAC digitized pKa | 1 » 0 |
| 8.97 | IUPAC digitized pKa | 1 » 0 |
| 8.97 | QSARToolbox | 1 » 0 |
| 9.01 | IUPAC digitized pKa | 1 » 0 |
| 9.04 | QSARToolbox | 1 » 0 |
| 9.04 | Datawarrior | 1 » 0 |
| 9.04 | OCHEM | 1 » 0 |
| 9.05 | IUPAC digitized pKa | 1 » 0 |
| 9.07 | QSARToolbox | 1 » 0 |
| 9.13 | IUPAC digitized pKa | 1 » 0 |
| 9.14 | QSARToolbox | 1 » 0 |
| 9.17 | IUPAC digitized pKa | 1 » 0 |
| 9.27 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.55 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | QSARToolbox | 1 » 0 |