Molecule ID: mol12467

SMILES: CC(C)(C)C(N)=NO

InChI: InChI=1S/C5H12N2O/c1-5(2,3)4(6)7-8/h8H,1-3H3,(H2,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization