Molecule ID: mol3411
SMILES: CC(N)CCc1ccccc1
InChI: InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.78 | OCHEM | 1 » 0 |
| 9.78 | Datawarrior | 1 » 0 |
| 9.79 | IUPAC digitized pKa | 1 » 0 |
| 9.79 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.79 | OCHEM | 1 » 0 |
| 9.79 | OCHEM | 1 » 0 |
| 9.79 | AttenGpKa training set | 1 » 0 |