Molecule ID: mol27028

SMILES: O=C(/C=C1\C=CNc2ccccc21)c1ccccc1

InChI: InChI=1S/C17H13NO/c19-17(13-6-2-1-3-7-13)12-14-10-11-18-16-9-5-4-8-15(14)16/h1-12,18H/b14-12+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization