Molecule ID: mol8094

SMILES: COc1cnc2c(N)ncnc2n1

InChI: InChI=1S/C7H7N5O/c1-13-4-2-9-5-6(8)10-3-11-7(5)12-4/h2-3H,1H3,(H2,8,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization