Molecule ID: mol33885
SMILES: Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChI: InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | QSARToolbox | 2 » 1 |
| 12.98 | QSARToolbox | 0 » -1 |
| 13.00 | QSARToolbox | 0 » -1 |