Molecule ID: mol8067

SMILES: Cn1c(N)cnc2c(=O)ncnc1-2

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization