Broto, Moreau, and Vandycke

Method of Broto, Moreau, and Vandycke The method of Broto et al. [46] is an atom contribution method including one extra contribution for conjugated double bonds. The complete set of atom constants is given in Appendix F to illustrate the relative hydrophobicity of the different types of atom contributions. Atom types are differentiated by their environment depending on whether they are C atoms or heteroatoms. The C-atom environment is limited to the adjacent bonds and to the attached H atoms. For heteroatoms, the environment additionally includes nonhydrogen neighbors. The latter are divided into two classes (1) C atoms, for which the bond environment is considered and (2) heteroatoms, Z, irrespective of 

TABLE 13.4.1 -CH2- Group Contribution to the Solvent-Water Partition Coefficient for Various Solvent Classes 

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