Molecule ID: mol3879
SMILES: C1CCC(C2CCCN2)CC1
InChI: InChI=1S/C10H19N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h9-11H,1-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.76 | IUPAC digitized pKa | 1 » 0 |
| 10.76 | OCHEM | 1 » 0 |
| 10.79 | OCHEM | 1 » 0 |
| 10.80 | Datawarrior | 1 » 0 |
| 10.80 | OCHEM | 1 » 0 |
| 10.80 | AttenGpKa training set | 1 » 0 |