Molecule ID: mol13153

SMILES: O=C1NCc2[nH]cnc2N1

InChI: InChI=1S/C5H6N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h2H,1H2,(H,7,8)(H2,6,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.52 Datawarrior 0 » -1
11.52 OCHEM 0 » -1
11.52 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization