Molecule ID: mol34844
SMILES: COc1cccc(C2=NCC(=O)Nc3ccc(Cl)cc32)c1
InChI: InChI=1S/C16H13ClN2O2/c1-21-12-4-2-3-10(7-12)16-13-8-11(17)5-6-14(13)19-15(20)9-18-16/h2-8H,9H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | QSARToolbox | 1 » 0 |
| 11.93 | QSARToolbox | 0 » -1 |