Molecule ID: mol2102
SMILES: Nc1ccc2c(c1)CCC2
InChI: InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | IUPAC digitized pKa | 1 » 0 |
| 5.31 | OCHEM | 1 » 0 |
| 5.31 | Hunt | 1 » 0 |
| 5.31 | OCHEM | 1 » 0 |
| 5.35 | OCHEM | 1 » 0 |
| 5.35 | QSARToolbox | 1 » 0 |
| 5.35 | Datawarrior | 1 » 0 |