Molecule ID: mol25374

SMILES: CCCCc1csc(N)n1

InChI: InChI=1S/C7H12N2S/c1-2-3-4-6-5-10-7(8)9-6/h5H,2-4H2,1H3,(H2,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization