Molecule ID: mol26386

SMILES: COc1cccc2[nH]cnc12

InChI: InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-8(7)10-5-9-6/h2-5H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization