Molecule ID: mol3893
SMILES: Cc1ccc(C2CCCN2)cc1
InChI: InChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.95 | IUPAC digitized pKa | 1 » 0 |
| 9.95 | OCHEM | 1 » 0 |
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | Datawarrior | 1 » 0 |
| 10.01 | AttenGpKa training set | 1 » 0 |