Molecule ID: mol4715

SMILES: Cn1c(N)nc2nccnc2c1=O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.18 IUPAC digitized pKa 1 » 0
2.18 IUPAC digitized pKa 1 » 0
2.21 IUPAC digitized pKa 1 » 0
2.25 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization