Molecule ID: mol32410

SMILES: CNCCCNC(=O)C=NO

InChI: InChI=1S/C6H13N3O2/c1-7-3-2-4-8-6(10)5-9-11/h5,7,11H,2-4H2,1H3,(H,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization