Molecule ID: mol23435

SMILES: O=C(O)CNc1cccc2ccccc12

InChI: InChI=1S/C12H11NO2/c14-12(15)8-13-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization