Molecule ID: mol3890
SMILES: c1ccc(C2CCCN2)cc1
InChI: InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | AttenGpKa training set | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |