Molecule ID: mol7948

SMILES: C[S+]([O-])c1cnc2ccccc2n1

InChI: InChI=1S/C9H8N2OS/c1-13(12)9-6-10-7-4-2-3-5-8(7)11-9/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.36 QSARToolbox 1 » 0
-1.36 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization