Molecule ID: mol27966

SMILES: OCCN=C(c1ccccc1)c1ccccc1

InChI: InChI=1S/C15H15NO/c17-12-11-16-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization