Molecule ID: mol4864

SMILES: Cn1cnc2ncn(C)c2c1=O

InChI: InChI=1S/C7H8N4O/c1-10-3-8-6-5(10)7(12)11(2)4-9-6/h3-4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization