Molecule ID: mol788

SMILES: CCc1cc2c(O)ccc(CC)c2s1

InChI: InChI=1S/C12H14OS/c1-3-8-5-6-11(13)10-7-9(4-2)14-12(8)10/h5-7,13H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.56 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization