Molecule ID: mol12185

SMILES: C[n+]1ccccc1C=Cc1ccc2cccc(O)c2n1

InChI: InChI=1S/C17H14N2O/c1-19-12-3-2-6-15(19)11-10-14-9-8-13-5-4-7-16(20)17(13)18-14/h2-12H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.70 IUPAC digitized pKa 2 » 1
9.10 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization