Molecule ID: mol8066

SMILES: Cn1cnc(=O)c2ncc(N)nc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization