Molecule ID: mol24589

SMILES: Cc1cc(C2=CC3CCC2N3)on1

InChI: InChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization