Molecule ID: mol21536

SMILES: O=C(c1cccc(F)c1)c1ccc2n1CCC2C(=O)O

InChI: InChI=1S/C15H12FNO3/c16-10-3-1-2-9(8-10)14(18)13-5-4-12-11(15(19)20)6-7-17(12)13/h1-5,8,11H,6-7H2,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization