Molecule ID: mol12052

SMILES: Oc1ccc(N=Nc2nc(-c3ccccc3)cs2)c(O)c1

InChI: InChI=1S/C15H11N3O2S/c19-11-6-7-12(14(20)8-11)17-18-15-16-13(9-21-15)10-4-2-1-3-5-10/h1-9,19-20H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization