Molecule ID: mol36413
SMILES: CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChI: InChI=1S/C17H17N3O/c1-20(2)13-8-9-15-14(10-13)17(18-11-16(21)19-15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 2 » 1 |
| 12.76 | QSARToolbox | 0 » -1 |