Molecule ID: mol21778

SMILES: O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CS2

InChI: InChI=1S/C16H12O3S/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.71 Organic Oxygen Acids and Nitrogen Bases 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization