Molecule ID: mol32451

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

InChI: InChI=1S/C8H17N3O2/c1-3-11(2)6-4-5-9-8(12)7-10-13/h7,13H,3-6H2,1-2H3,(H,9,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization