Molecule ID: mol3523
SMILES: Cc1ccc(NC2CCc3ccccc32)cc1
InChI: InChI=1S/C16H17N/c1-12-6-9-14(10-7-12)17-16-11-8-13-4-2-3-5-15(13)16/h2-7,9-10,16-17H,8,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 1 » 0 |
| 1.80 | IUPAC digitized pKa | 1 » 0 |