Molecule ID: mol4577
SMILES: C1CN2CCCN2C1
InChI: InChI=1S/C6H12N2/c1-3-7-5-2-6-8(7)4-1/h1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | QSARToolbox | 1 » 0 |
| 7.91 | AttenGpKa training set | 1 » 0 |
| 7.95 | OCHEM | 1 » 0 |
| 7.95 | Datawarrior | 1 » 0 |
| 8.00 | IUPAC digitized pKa | 1 » 0 |