Molecule ID: mol8035

SMILES: CC(=O)N1CCNc2nc(N)nc(N)c21

InChI: InChI=1S/C8H12N6O/c1-4(15)14-3-2-11-7-5(14)6(9)12-8(10)13-7/h2-3H2,1H3,(H5,9,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization