Molecule ID: mol27346

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

InChI: InChI=1S/C18H16N2O3/c1-11-7-9-13(10-8-11)18(12-5-3-2-4-6-12)14(15(19)21)16(22)20-17(18)23/h2-10,14H,1H3,(H2,19,21)(H,20,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization