Molecule ID: mol25705

SMILES: C[n+]1ccncc1S

InChI: InChI=1S/C5H6N2S/c1-7-3-2-6-4-5(7)8/h2-4H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.32 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization