Molecule ID: mol6165
SMILES: CCN(CC)CCNC(=O)c1ccccc1C
InChI: InChI=1S/C14H22N2O/c1-4-16(5-2)11-10-15-14(17)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.88 | IUPAC digitized pKa | 1 » 0 |
| 8.88 | AttenGpKa training set | 1 » 0 |