Molecule ID: mol8249

SMILES: CN1C(O)=c2c(ncn2C)=NC1N

InChI: InChI=1S/C7H11N5O/c1-11-3-9-5-4(11)6(13)12(2)7(8)10-5/h3,7,13H,8H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.40 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization