Molecule ID: mol232
SMILES: CCCNCc1ccccc1
InChI: InChI=1S/C10H15N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.58 | IUPAC digitized pKa | 1 » 0 |
| 9.58 | OCHEM | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | Hunt | 1 » 0 |
| 9.60 | Settimo | 1 » 0 |
| 9.62 | OCHEM | 1 » 0 |
| 9.62 | Datawarrior | 1 » 0 |
| 9.62 | AttenGpKa training set | 1 » 0 |