Molecule ID: mol7063

SMILES: Nc1ncncc1NC=O

InChI: InChI=1S/C5H6N4O/c6-5-4(9-3-10)1-7-2-8-5/h1-3H,(H,9,10)(H2,6,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization