Molecule ID: mol28462

SMILES: O=S(=O)(NCc1ccccc1)c1ncccn1

InChI: InChI=1S/C11H11N3O2S/c15-17(16,11-12-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,14H,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization