Molecule ID: mol8062

SMILES: COc1cnc2nc(N)n(C)c(=O)c2n1

InChI: InChI=1S/C8H9N5O2/c1-13-7(14)5-6(12-8(13)9)10-3-4(11-5)15-2/h3H,1-2H3,(H2,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization