Molecule ID: mol2627

SMILES: c1csc(C2=NC(c3cccs3)C(NC3CC3)=Nc3ncccc32)c1

InChI: InChI=1S/C19H16N4S2/c1-4-13-16(14-5-2-10-24-14)22-17(15-6-3-11-25-15)19(21-12-7-8-12)23-18(13)20-9-1/h1-6,9-12,17H,7-8H2,(H,20,21,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization