Molecule ID: mol3176
SMILES: CCN(CC)CCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H25NO2/c1-3-21(4-2)16-15-20(19(22)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.59 | QSARToolbox | 1 » 0 |
| 1.88 | QSARToolbox | 1 » 0 |
| 10.59 | IUPAC digitized pKa | 0 » -1 |
| 10.59 | OCHEM | 0 » -1 |