Molecule ID: mol3770
SMILES: CCCCCc1ccccn1
InChI: InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.00 | AttenGpKa training set | 1 » 0 |