Molecule ID: mol6158
SMILES: CCN(CC)CCNC(=O)c1ccccc1
InChI: InChI=1S/C13H20N2O/c1-3-15(4-2)11-10-14-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | IUPAC digitized pKa | 1 » 0 |
| 9.05 | AttenGpKa training set | 1 » 0 |