Molecule ID: mol27560

SMILES: NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C8H7N3O3S/c9-8(15)10-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H,(H3,9,10,12,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.83 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization