Molecule ID: mol7029

SMILES: Cn1cnc(=O)c(NCC#N)c1N

InChI: InChI=1S/C7H9N5O/c1-12-4-11-7(13)5(6(12)9)10-3-2-8/h4,10H,3,9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization