Molecule ID: mol7523

SMILES: CNC1=NCCC(=O)N1C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization