Molecule ID: mol3714
SMILES: CCCCCCc1ccccn1
InChI: InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.95 | QSARToolbox | 1 » 0 |
| 5.95 | IUPAC digitized pKa | 1 » 0 |
| 5.95 | OCHEM | 1 » 0 |
| 5.95 | AttenGpKa training set | 1 » 0 |