Molecule ID: mol3251
SMILES: CCCCCC(C)NC
InChI: InChI=1S/C8H19N/c1-4-5-6-7-8(2)9-3/h8-9H,4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.82 | IUPAC digitized pKa | 1 » 0 |
| 10.91 | OCHEM | 1 » 0 |
| 10.99 | IUPAC digitized pKa | 1 » 0 |
| 10.99 | Datawarrior | 1 » 0 |
| 10.99 | OCHEM | 1 » 0 |
| 10.99 | AttenGpKa training set | 1 » 0 |