Molecule ID: mol1875
SMILES: CNCCCc1ccccc1
InChI: InChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.43 | OCHEM | 1 » 0 |
| 10.43 | Hunt | 1 » 0 |
| 10.58 | Datawarrior | 1 » 0 |
| 10.58 | OCHEM | 1 » 0 |
| 10.58 | AttenGpKa training set | 1 » 0 |
| 10.64 | IUPAC digitized pKa | 1 » 0 |
| 10.64 | OCHEM | 1 » 0 |