Molecule ID: mol25529

SMILES: Cc1ccc(-c2nc(CCN)cs2)cc1

InChI: InChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization