Molecule ID: mol24789

SMILES: Nc1cccc2c(=O)[nH][nH]c(=O)c12

InChI: InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.07 AttenGpKa training set 1 » 0
6.47 AttenGpKa training set 0 » -1
14.70 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization