Molecule ID: mol31014

SMILES: CC1=CC(C(c2ccccc2)c2cc(C)c(O)c(Br)c2)C=C(Br)C1=O

InChI: InChI=1S/C21H18Br2O2/c1-12-8-15(10-17(22)20(12)24)19(14-6-4-3-5-7-14)16-9-13(2)21(25)18(23)11-16/h3-11,15,19,25H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization