Molecule ID: mol31027

SMILES: CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl

InChI: InChI=1S/C15H7Cl7O3/c1-4(23)25-15-6(10(19)11(20)12(21)13(15)22)2-5-9(18)7(16)3-8(17)14(5)24/h3,24H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization