Molecule ID: mol32477

SMILES: CCN(CC)CCCNC(=O)C=NO

InChI: InChI=1S/C9H19N3O2/c1-3-12(4-2)7-5-6-10-9(13)8-11-14/h8,14H,3-7H2,1-2H3,(H,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization