Molecule ID: mol8221

SMILES: CN1CC=Nc2c1ncn(C)c2=O

InChI: InChI=1S/C8H10N4O/c1-11-4-3-9-6-7(11)10-5-12(2)8(6)13/h3,5H,4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.06 IUPAC digitized pKa 2 » 1
10.41 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization