Constitutional Descriptors

• total number of atoms in the molecule

• absolute and relative numbers of atoms of certain chemical identity (C, H, O, N, F, etc.) in the molecule

• absolute and relative numbers of certain chemical groups and functionalities in the molecule

• total number of bonds in the molecule

• absolute and relative numbers of single, double, triple, aromatic or other bonds in the molecule

• total number of rings, number of rings divided by the total number of atoms

• total and relative number of 6-atoms aromatic rings

• molecular weight and average atomic weight