Molecule ID: mol914
SMILES: CCN(CC)CCCCC#N
InChI: InChI=1S/C9H18N2/c1-3-11(4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.08 | IUPAC digitized pKa | 1 » 0 |
| 10.08 | Datawarrior | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |
| 10.08 | Hunt | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |
| 10.08 | AttenGpKa training set | 1 » 0 |