Molecule ID: mol170
SMILES: C1CN1
InChI: InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.99 | QSARToolbox | 1 » 0 |
| 6.05 | Datawarrior | 1 » 0 |
| 6.05 | OCHEM | 1 » 0 |
| 6.11 | QSARToolbox | 1 » 0 |
| 7.79 | QSARToolbox | 1 » 0 |
| 7.79 | QSARToolbox | 1 » 0 |
| 7.79 | IUPAC digitized pKa | 1 » 0 |
| 7.88 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 7.98 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | Hunt | 1 » 0 |
| 8.00 | Settimo | 1 » 0 |
| 8.01 | IUPAC digitized pKa | 1 » 0 |
| 8.04 | QSARToolbox | 1 » 0 |
| 8.04 | IUPAC digitized pKa | 1 » 0 |
| 8.04 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.04 | AttenGpKa training set | 1 » 0 |
| 8.10 | QSARToolbox | 1 » 0 |