Molecule ID: mol902
SMILES: C=CCNCC=C
InChI: InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.29 | QSARToolbox | 1 » 0 |
| 9.29 | QSARToolbox | 1 » 0 |
| 9.29 | IUPAC digitized pKa | 1 » 0 |
| 9.29 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | Hunt | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | AttenGpKa training set | 1 » 0 |
| 9.35 | Datawarrior | 1 » 0 |
| 9.35 | OCHEM | 1 » 0 |
| 9.42 | QSARToolbox | 1 » 0 |