Molecule ID: mol2196

SMILES: CCC1=NC[C@H](C)S1

InChI: InChI=1S/C6H11NS/c1-3-6-7-4-5(2)8-6/h5H,3-4H2,1-2H3/t5-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.23 OCHEM 1 » 0
5.23 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization