Molecule ID: mol3536
SMILES: NC1CCc2ccccc2C1
InChI: InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.93 | IUPAC digitized pKa | 1 » 0 |
| 9.93 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.93 | OCHEM | 1 » 0 |
| 9.93 | OCHEM | 1 » 0 |
| 9.93 | QSARToolbox | 1 » 0 |
| 9.97 | Datawarrior | 1 » 0 |
| 9.97 | QSARToolbox | 1 » 0 |
| 9.97 | OCHEM | 1 » 0 |