Molecule ID: mol27236

SMILES: Cn1[nH]c(=O)n(-c2ccccc2)c1=O

InChI: InChI=1S/C9H9N3O2/c1-11-9(14)12(8(13)10-11)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization