Molecule ID: mol2140

SMILES: NC[C@H]1C=CCS1

InChI: InChI=1S/C5H9NS/c6-4-5-2-1-3-7-5/h1-2,5H,3-4,6H2/t5-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization