Molecule ID: mol12588

SMILES: NC(=O)/C=C(\O)c1cccnc1

InChI: InChI=1S/C8H8N2O2/c9-8(12)4-7(11)6-2-1-3-10-5-6/h1-5,11H,(H2,9,12)/b7-4-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.01 Datawarrior 0 » -1
8.01 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization