Molecule ID: mol30981

SMILES: CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)cc1C

InChI: InChI=1S/C27H30O2/c1-16(2)21-14-23(18(5)12-25(21)28)27(20-10-8-7-9-11-20)24-15-22(17(3)4)26(29)13-19(24)6/h7-17,28H,1-6H3/b27-24-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.60 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization