Molecule ID: mol24926

SMILES: N#C/C(=N\Nc1ccccc1)C(=N)SCc1ccccc1

InChI: InChI=1S/C16H14N4S/c17-11-15(20-19-14-9-5-2-6-10-14)16(18)21-12-13-7-3-1-4-8-13/h1-10,18-19H,12H2/b18-16?,20-15+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization