Molecule ID: mol18718

SMILES: CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC(CC)(CC)C(=O)O)c(Cl)c1Cl)C2

InChI: InChI=1S/C24H28Cl2O6/c1-4-8-23-9-7-15(27)11-16(23)19-14(12-23)10-17(20(25)21(19)26)31-13-18(28)32-24(5-2,6-3)22(29)30/h10-11H,4-9,12-13H2,1-3H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization