Molecule: 1-N,1-N-diethyl-2,6-dinitro-4-(trifluoromethyl)benzene-1,3-diamine
SMILES: CCN(CC)c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]
Experimental hydration free energy: -5.66
Calculated hydration free energy: -7.503