Molecule ID: mol26223

SMILES: C[n+]1ncc2ccccc2c1S

InChI: InChI=1S/C9H8N2S/c1-11-9(12)8-5-3-2-4-7(8)6-10-11/h2-6H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.98 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization