Molecule ID: mol2371
SMILES: C=CCN(CC=C)CC=C
InChI: InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.31 | IUPAC digitized pKa | 1 » 0 |
| 8.31 | Datawarrior | 1 » 0 |
| 8.31 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | Hunt | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | AttenGpKa training set | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |