Molecule ID: mol26536

SMILES: COc1cccc(-c2nc3ccccc3s2)c1O

InChI: InChI=1S/C14H11NO2S/c1-17-11-7-4-5-9(13(11)16)14-15-10-6-2-3-8-12(10)18-14/h2-8,16H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization