Molecule ID: mol29388

SMILES: COc1cccc(C2NC(C(=O)O)CS2)c1O

InChI: InChI=1S/C11H13NO4S/c1-16-8-4-2-3-6(9(8)13)10-12-7(5-17-10)11(14)15/h2-4,7,10,12-13H,5H2,1H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization