Molecule ID: mol7881

SMILES: Cc1cccc2c1N=CNC2O

InChI: InChI=1S/C9H10N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)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
7.85 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization