Molecule ID: mol2712

SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(Cl)cc1Cl

InChI: InChI=1S/C13H10Cl2O3/c14-7-4-5-8(9(15)6-7)13(18)12-10(16)2-1-3-11(12)17/h4-6,12H,1-3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization