Molecule ID: mol27357

SMILES: Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)C2C(=O)O)cc1

InChI: InChI=1S/C19H17NO4/c1-11-3-7-13(8-4-11)19(14-9-5-12(2)6-10-14)15(17(22)23)16(21)20-18(19)24/h3-10,15H,1-2H3,(H,22,23)(H,20,21,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization