Molecule ID: mol7876

SMILES: COc1cccc2c1N=CNC2O

InChI: InChI=1S/C9H10N2O2/c1-13-7-4-2-3-6-8(7)10-5-11-9(6)12/h2-5,9,12H,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.82 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization