Molecule ID: mol28454

SMILES: O=S(=O)(NCc1ccccc1)c1cccnc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization