Molecule ID: mol2628

SMILES: C#CCNC1=Nc2ncccc2C(c2cccs2)=NC1c1cccs1

InChI: InChI=1S/C19H14N4S2/c1-2-9-20-19-17(15-8-5-12-25-15)22-16(14-7-4-11-24-14)13-6-3-10-21-18(13)23-19/h1,3-8,10-12,17H,9H2,(H,20,21,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization