Molecule ID: mol28453

SMILES: O=S(=O)(NCc1ccccc1)c1ccccn1

InChI: InChI=1S/C12H12N2O2S/c15-17(16,12-8-4-5-9-13-12)14-10-11-6-2-1-3-7-11/h1-9,14H,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization