Molecule ID: mol25326

SMILES: Cn1c(O)n[n+](C)c1O

InChI: InChI=1S/C4H7N3O2/c1-6-3(8)5-7(2)4(6)9/h1-2H3,(H,5,8)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.80 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization