Molecule ID: mol36070
SMILES: CCc1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2
InChI: InChI=1S/C17H15FN2O/c1-2-11-7-8-15-13(9-11)17(19-10-16(21)20-15)12-5-3-4-6-14(12)18/h3-9H,2,10H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | QSARToolbox | 1 » 0 |
| 12.25 | QSARToolbox | 0 » -1 |