Molecule ID: mol31012

SMILES: O=S1(=O)OC(c2ccc(O)c3ccccc23)(c2ccc(O)c3ccccc23)c2ccccc21

InChI: InChI=1S/C27H18O5S/c28-24-15-13-21(17-7-1-3-9-19(17)24)27(23-11-5-6-12-26(23)33(30,31)32-27)22-14-16-25(29)20-10-4-2-8-18(20)22/h1-16,28-29H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization