Molecule ID: mol22970

SMILES: Cc1n[nH]c(=O)n1-c1ccc(C(=O)O)cc1

InChI: InChI=1S/C10H9N3O3/c1-6-11-12-10(16)13(6)8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization