Molecule ID: mol26717

SMILES: COc1ccc2c(c1)cc1c3ccccc3[nH]c1[n+]2C

InChI: InChI=1S/C17H14N2O/c1-19-16-8-7-12(20-2)9-11(16)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization