Molecule ID: mol27058

SMILES: CN1C=C/C(=C\C(=O)c2ccccc2)c2ccccc21

InChI: InChI=1S/C18H15NO/c1-19-12-11-15(16-9-5-6-10-17(16)19)13-18(20)14-7-3-2-4-8-14/h2-13H,1H3/b15-13+

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