Molecule ID: euroSAMPL-15

SMILES: CC(=O)c1sc2ccccc2c1O

InChI: InChI=1S/C10H8O2S/c1-6(11)10-9(12)7-4-2-3-5-8(7)13-10/h2-5,12H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.18 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization