Molecule ID: mol25749

SMILES: CNC1=CCN(C)C(O)=N1

InChI: InChI=1S/C6H11N3O/c1-7-5-3-4-9(2)6(10)8-5/h3,7H,4H2,1-2H3,(H,8,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization