Molecule ID: mol18732

SMILES: CC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C16H14Cl2O4/c1-16-3-2-9(19)5-10(16)13-8(6-16)4-11(14(17)15(13)18)22-7-12(20)21/h4-5H,2-3,6-7H2,1H3,(H,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.75 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization