Molecule ID: mol27554

SMILES: NC(=S)NC(=O)c1cccc(Cl)c1

InChI: InChI=1S/C8H7ClN2OS/c9-6-3-1-2-5(4-6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.96 AttenGpKa training set 2 » 1
-4.73 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization