Molecule
From semanticweb.org
A molecule is made of atoms
Attributes: systematic name, charge, molecular formula, molecular orbital diagram, SMILES, appearance, CAS number, solubility in water, melting point, boiling point, dipole moment, molecular shape, point grup, space group, standard enthalpy of formation, standard molar entropy, 3d structure, link to pdb file or something, intramolecular bonds(ionic/covalent character %, metallic bond..), intermolecular bonds(which atoms can be a hydrogen bond receptor or donor etc.), other thermodynamic data etc...