Molecule ID: mol3872
SMILES: c1ccc(CC2CCCN2)cc1
InChI: InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,11-12H,4,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.31 | IUPAC digitized pKa | 1 » 0 |
| 10.31 | OCHEM | 1 » 0 |
| 10.35 | Datawarrior | 1 » 0 |
| 10.35 | OCHEM | 1 » 0 |
| 10.36 | AttenGpKa training set | 1 » 0 |