Molecule ID: mol3563
SMILES: CC(=O)C(CN1CCCCC1)c1ccccc1
InChI: InChI=1S/C15H21NO/c1-13(17)15(14-8-4-2-5-9-14)12-16-10-6-3-7-11-16/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | IUPAC digitized pKa | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |