Molecule ID: mol4003

SMILES: CC(C)C1C(=O)NN=C1N

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization