Molecule ID: mol24944

SMILES: O=C(O)CSC(=N\Nc1ccccc1)/N=N/c1ccccc1

InChI: InChI=1S/C15H14N4O2S/c20-14(21)11-22-15(18-16-12-7-3-1-4-8-12)19-17-13-9-5-2-6-10-13/h1-10,16H,11H2,(H,20,21)/b18-15-,19-17+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.48 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization