Molecule ID: mol3378

SMILES: Cc1cccc(Nc2ccc(S(N)(=O)=O)cc2)c1

InChI: InChI=1S/C13H14N2O2S/c1-10-3-2-4-12(9-10)15-11-5-7-13(8-6-11)18(14,16)17/h2-9,15H,1H3,(H2,14,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.11 IUPAC digitized pKa 1 » 0
9.74 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization