Molecule ID: mol2620

SMILES: CNC1=Nc2ncccc2C(c2ccccc2)=NC1c1cccs1

InChI: InChI=1S/C19H16N4S/c1-20-19-17(15-10-6-12-24-15)22-16(13-7-3-2-4-8-13)14-9-5-11-21-18(14)23-19/h2-12,17H,1H3,(H,20,21,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.21 Manchester 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization