Molecule ID: mol4702

SMILES: CC(=O)Nc1ncnc2nccnc12

InChI: InChI=1S/C8H7N5O/c1-5(14)13-8-6-7(11-4-12-8)10-3-2-9-6/h2-4H,1H3,(H,10,11,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.21 IUPAC digitized pKa 1 » 0
1.21 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization