Molecule: 1,2,3,4,7,8-hexachlorodibenzo-p-dioxin
SMILES: c1c2c(cc(c1Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2
Experimental hydration free energy: -3.71
Calculated hydration free energy: -1.878