Molecule ID: mol3570
SMILES: N#CCN1CCCCC1
InChI: InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | OCHEM | 1 » 0 |
| 4.55 | IUPAC digitized pKa | 1 » 0 |
| 4.55 | Datawarrior | 1 » 0 |
| 4.55 | AttenGpKa training set | 1 » 0 |
| 4.55 | QSARToolbox | 1 » 0 |
| 4.55 | QSARToolbox | 1 » 0 |
| 4.55 | OCHEM | 1 » 0 |