Molecule ID: mol6013
SMILES: N#CCCNc1ccccc1
InChI: InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |