Molecule ID: mol173
SMILES: C1CNC1
InChI: InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.70 | Baltruschat ChEMBL | 1 » 0 |
| 11.04 | QSARToolbox | 1 » 0 |
| 11.04 | IUPAC digitized pKa | 1 » 0 |
| 11.17 | OCHEM | 1 » 0 |
| 11.29 | QSARToolbox | 1 » 0 |
| 11.29 | QSARToolbox | 1 » 0 |
| 11.29 | IUPAC digitized pKa | 1 » 0 |
| 11.29 | Datawarrior | 1 » 0 |
| 11.29 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.29 | OCHEM | 1 » 0 |
| 11.29 | OCHEM | 1 » 0 |
| 11.29 | OCHEM | 1 » 0 |
| 11.29 | AttenGpKa training set | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | Hunt | 1 » 0 |
| 11.30 | Settimo | 1 » 0 |
| 11.40 | QSARToolbox | 1 » 0 |