Molecule ID: mol8883

SMILES: NNc1cccc(S(=O)(=O)O)c1

InChI: InChI=1S/C6H8N2O3S/c7-8-5-2-1-3-6(4-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization