Molecule ID: mol31040

SMILES: CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)c(Br)c1C

InChI: InChI=1S/C27H28Br2O2/c1-14(2)19-12-21(16(5)24(28)26(19)30)23(18-10-8-7-9-11-18)22-13-20(15(3)4)27(31)25(29)17(22)6/h7-15,30H,1-6H3/b23-22-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization