Molecule ID: mol16140

SMILES: COc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCc2ccccc2)c1CC=C(C)C

InChI: InChI=1S/C26H32O4/c1-17(2)11-14-21-20(16-13-19-9-7-6-8-10-19)23(26(28)29)24(27)22(25(21)30-5)15-12-18(3)4/h6-12,27H,13-16H2,1-5H3,(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization