Molecule ID: mol12786

SMILES: ONc1ccnc2ccccc12

InChI: InChI=1S/C9H8N2O/c12-11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6,12H,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization