Molecule ID: mol4497
SMILES: CCCCn1cnc2ccccc21
InChI: InChI=1S/C11H14N2/c1-2-3-8-13-9-12-10-6-4-5-7-11(10)13/h4-7,9H,2-3,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.29 | IUPAC digitized pKa | 1 » 0 |
| 5.31 | OCHEM | 1 » 0 |
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | Datawarrior | 1 » 0 |
| 5.31 | AttenGpKa training set | 1 » 0 |