Molecule ID: mol25445

SMILES: Oc1ccc(-c2c[nH]cn2)c(O)c1

InChI: InChI=1S/C9H8N2O2/c12-6-1-2-7(9(13)3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization