Molecule ID: mol37853

SMILES: CCn1cc(/C=N\O)[n+](C)c1

InChI: InChI=1S/C7H11N3O/c1-3-10-5-7(4-8-11)9(2)6-10/h4-6H,3H2,1-2H3/p+1/b8-4-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization