Molecule ID: mol35984

SMILES: O=C1C=C(C(=O)O)/C(=N/Nc2ccc(Cl)cc2)C(=O)N1

InChI: InChI=1S/C12H8ClN3O4/c13-6-1-3-7(4-2-6)15-16-10-8(12(19)20)5-9(17)14-11(10)18/h1-5,15H,(H,19,20)(H,14,17,18)/b16-10-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.10 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization