Molecule ID: mol27347

SMILES: Cc1ccc(C2(c3ccccc3)C(=O)NC(=O)C2C(=O)O)cc1

InChI: InChI=1S/C18H15NO4/c1-11-7-9-13(10-8-11)18(12-5-3-2-4-6-12)14(16(21)22)15(20)19-17(18)23/h2-10,14H,1H3,(H,21,22)(H,19,20,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization