Molecule ID: mol18234

SMILES: CC1(c2ccccc2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O

InChI: InChI=1S/C20H18Cl2O4/c1-20(13-6-3-2-4-7-13)11-12-10-14(26-9-5-8-15(23)24)17(21)18(22)16(12)19(20)25/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization