Molecule ID: mol11896

SMILES: Oc1c(N=Nc2nccs2)ccc2ccccc12

InChI: InChI=1S/C13H9N3OS/c17-12-10-4-2-1-3-9(10)5-6-11(12)15-16-13-14-7-8-18-13/h1-8,17H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.88 IUPAC digitized pKa 2 » 1
9.10 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization