Molecule ID: mol11939

SMILES: Cc1cc(O)cc(O)c1-c1c(C)cc(O)cc1O

InChI: InChI=1S/C14H14O4/c1-7-3-9(15)5-11(17)13(7)14-8(2)4-10(16)6-12(14)18/h3-6,15-18H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.34 IUPAC digitized pKa -1 » -2
10.20 QSARToolbox -2 » -3
10.45 IUPAC digitized pKa -2 » -3
11.45 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization