Molecule: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
SMILES: CCCC[N@](CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Experimental hydration free energy: -3.51
Calculated hydration free energy: -2.303