Molecule ID: mol13707

SMILES: COC(=O)C(N)CCONC(N)=O

InChI: InChI=1S/C6H13N3O4/c1-12-5(10)4(7)2-3-13-9-6(8)11/h4H,2-3,7H2,1H3,(H3,8,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization