Molecule ID: mol4317
SMILES: CCCN(CCC)CCc1c[nH]c2ccccc12
InChI: InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.60 | AttenGpKa training set | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |