Molecule ID: euroSAMPL-30

SMILES: O=C(NCCO)c1cc2ccccc2cc1O

InChI: InChI=1S/C13H13NO3/c15-6-5-14-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,15-16H,5-6H2,(H,14,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.89 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization