Molecule ID: mol3519
SMILES: O=[N+]([O-])c1ccc(NC2CCc3ccccc32)cc1
InChI: InChI=1S/C15H14N2O2/c18-17(19)13-8-6-12(7-9-13)16-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,15-16H,5,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.13 | IUPAC digitized pKa | 1 » 0 |
| -1.13 | QSARToolbox | 1 » 0 |