Molecule ID: mol26226

SMILES: C[n+]1c(S)cnc2ccccc21

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.01 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization