Molecule ID: mol6592

SMILES: O=c1c(Cl)c[nH]c(Cl)c1Cl

InChI: InChI=1S/C5H2Cl3NO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization