Molecule ID: mol2695

SMILES: Cc1cc(C(=O)C2C(=O)C3CCC(C3)C2=O)c(=O)n(-c2ccccc2)n1

InChI: InChI=1S/C20H18N2O4/c1-11-9-15(20(26)22(21-11)14-5-3-2-4-6-14)19(25)16-17(23)12-7-8-13(10-12)18(16)24/h2-6,9,12-13,16H,7-8,10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization