Molecule ID: mol36586

SMILES: NC(=O)NN=C(CS)C(=O)O

InChI: InChI=1S/C4H7N3O3S/c5-4(10)7-6-2(1-11)3(8)9/h11H,1H2,(H,8,9)(H3,5,7,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.50 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization