Molecule ID: mol4248

SMILES: Nc1nnc(-c2ccccc2)s1

InChI: InChI=1S/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization