Molecule ID: mol28698

SMILES: O=S(=O)(NCc1ccccc1)c1nnnn1-c1ccccc1

InChI: InChI=1S/C14H13N5O2S/c20-22(21,15-11-12-7-3-1-4-8-12)14-16-17-18-19(14)13-9-5-2-6-10-13/h1-10,15H,11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization