Molecule ID: mol12079

SMILES: CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(=O)O

InChI: InChI=1S/C16H13NO4/c1-16(12(14(19)20)13(18)17-15(16)21)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,19,20)(H,17,18,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.94 AttenGpKa training set 0 » -1
8.93 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization