Molecule ID: mol1217
SMILES: Nc1ccc2c(c1)CCCC2
InChI: InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | Hunt | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | Datawarrior | 1 » 0 |