Molecule ID: mol1216
SMILES: Nc1cccc2c1CCCC2
InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.47 | QSARToolbox | 1 » 0 |
| 4.47 | Hunt | 1 » 0 |
| 4.47 | OCHEM | 1 » 0 |
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |