Molecule ID: mol15496

SMILES: CCCC1N=C(N)N=C(Nc2ccc(SC)cc2)N1

InChI: InChI=1S/C13H19N5S/c1-3-4-11-16-12(14)18-13(17-11)15-9-5-7-10(19-2)8-6-9/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.60 Datawarrior 1 » 0
10.60 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization