Molecule ID: mol3515
SMILES: NC1CCc2ccccc21
InChI: InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | QSARToolbox | 1 » 0 |
| 9.21 | IUPAC digitized pKa | 1 » 0 |
| 9.21 | Datawarrior | 1 » 0 |
| 9.21 | OCHEM | 1 » 0 |
| 9.21 | OCHEM | 1 » 0 |
| 9.21 | QSARToolbox | 1 » 0 |
| 9.24 | QSARToolbox | 1 » 0 |