Molecule ID: mol2632

SMILES: CNC1=Nc2nc(C)ccc2C(c2cccs2)=NC1c1cccs1

InChI: InChI=1S/C18H16N4S2/c1-11-7-8-12-15(13-5-3-9-23-13)21-16(14-6-4-10-24-14)18(19-2)22-17(12)20-11/h3-10,16H,1-2H3,(H,19,20,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization