Molecule ID: euroSAMPL-02

SMILES: O=C(O)Cn1cc(-c2ccccc2)ccc1=O

InChI: InChI=1S/C13H11NO3/c15-12-7-6-11(8-14(12)9-13(16)17)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization