Molecule ID: mol26360

SMILES: Oc1cccc2[nH]cnc12

InChI: InChI=1S/C7H6N2O/c10-6-3-1-2-5-7(6)9-4-8-5/h1-4,10H,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization