Molecule ID: SM08

SMILES: Cc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1

InChI: InChI=1S/C18H15NO3/c1-11-7-8-15-13(9-11)17(12-5-3-2-4-6-12)14(10-16(20)21)18(22)19-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.22 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization