Molecule ID: mol3518
SMILES: O=[N+]([O-])c1cccc(NC2CCc3ccccc32)c1
InChI: InChI=1S/C15H14N2O2/c18-17(19)13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15-16H,8-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.46 | QSARToolbox | 1 » 0 |
| -0.46 | IUPAC digitized pKa | 1 » 0 |