Molecule ID: mol23436

SMILES: O=C(O)CNc1ccc2ccccc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization