Molecule ID: mol34304
SMILES: N#Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChI: InChI=1S/C16H11N3O/c17-9-11-6-7-14-13(8-11)16(18-10-15(20)19-14)12-4-2-1-3-5-12/h1-8H,10H2,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.88 | QSARToolbox | 1 » 0 |
| 11.17 | QSARToolbox | 0 » -1 |
| 11.20 | QSARToolbox | 0 » -1 |