Molecule ID: mol25137

SMILES: C(=C/c1ccco1)\c1cccc(/C=C/c2ccco2)n1

InChI: InChI=1S/C17H13NO2/c1-4-14(8-10-16-6-2-12-19-16)18-15(5-1)9-11-17-7-3-13-20-17/h1-13H/b10-8+,11-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization