Molecule ID: mol30797

SMILES: O=C(Nc1ccc(Cl)cc1)c1ccc(O)cc1

InChI: InChI=1S/C13H10ClNO2/c14-10-3-5-11(6-4-10)15-13(17)9-1-7-12(16)8-2-9/h1-8,16H,(H,15,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.50 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization