Molecule ID: mol28312

SMILES: O=S1(=O)Nc2ccccc2N1

InChI: InChI=1S/C6H6N2O2S/c9-11(10)7-5-3-1-2-4-6(5)8-11/h1-4,7-8H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.96 AttenGpKa training set 0 » -1
10.60 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization