Molecule ID: mol3535
SMILES: NC1CCCc2ccccc21
InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.63 | IUPAC digitized pKa | 1 » 0 |
| 9.63 | OCHEM | 1 » 0 |
| 9.63 | QSARToolbox | 1 » 0 |
| 9.66 | OCHEM | 1 » 0 |
| 9.66 | QSARToolbox | 1 » 0 |
| 9.66 | Datawarrior | 1 » 0 |