Molecule ID: mol25479

SMILES: C[n+]1c(O)nn(-c2ccccc2)c1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.20 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization