Molecule ID: mol9883

SMILES: Cc1cc(Cl)[nH]c(=O)c1

InChI: InChI=1S/C6H6ClNO/c1-4-2-5(7)8-6(9)3-4/h2-3H,1H3,(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.20 IUPAC digitized pKa 1 » 0
8.06 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization