Molecule ID: mol3428
SMILES: CC(N)CCCc1ccccc1
InChI: InChI=1S/C11H17N/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | IUPAC digitized pKa | 1 » 0 |
| 9.99 | Datawarrior | 1 » 0 |
| 9.99 | AttenGpKa training set | 1 » 0 |