Molecule ID: SM45

SMILES: O=S(=O)(Nc1cn(-c2ccccc2)nn1)c1ccccc1

InChI: InChI=1S/C14H12N4O2S/c19-21(20,13-9-5-2-6-10-13)16-14-11-18(17-15-14)12-7-3-1-4-8-12/h1-11,16H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.93 SAMPL7 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization