Molecule ID: mol18737

SMILES: CCC12C=CC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C17H14Cl2O4/c1-2-17-4-3-10(20)6-11(17)14-9(7-17)5-12(15(18)16(14)19)23-8-13(21)22/h3-6H,2,7-8H2,1H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization