Molecule ID: mol30992

SMILES: O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21

InChI: InChI=1S/C20H8F4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization