Molecule ID: mol26344

SMILES: NC1=NC2SC(c3ccc(Br)cc3)=CC2C(N)=N1

InChI: InChI=1S/C12H11BrN4S/c13-7-3-1-6(2-4-7)9-5-8-10(14)16-12(15)17-11(8)18-9/h1-5,8,11H,(H4,14,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.47 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization