Molecule ID: mol8127

SMILES: COC1=Nc2c(N)nc(N)nc2NC1

InChI: InChI=1S/C7H10N6O/c1-14-3-2-10-6-4(11-3)5(8)12-7(9)13-6/h2H2,1H3,(H5,8,9,10,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization