Molecule ID: mol38591

SMILES: COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)O)C(=O)OC2

InChI: InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h5,20H,4,6-8H2,1-3H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization