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  2. Chemical polarity - Wikipedia

    en.wikipedia.org/wiki/Chemical_polarity

    Polar liquids have a tendency to be more viscous than nonpolar liquids. [citation needed] For example, nonpolar hexane is much less viscous than polar water. However, molecule size is a much stronger factor on viscosity than polarity, where compounds with larger molecules are more viscous than compounds with smaller molecules.

  3. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    pure compounds, mixtures, gas hydrates physical properties "DDB". Dissociation Constants: IUPAC Digitized pKa Dataset IUPAC: dissociation constants "Dissociation Constants". GitHub. DETHERM DECHEMA thermophysical properties "DETHERM". 75,000 DrugBank: University of Alberta drugs "DrugBank". DrugCentral University of New Mexico pharmaceuticals

  4. Joback method - Wikipedia

    en.wikipedia.org/wiki/Joback_method

    The Joback method, often named Joback–Reid method, predicts eleven important and commonly used pure component thermodynamic properties from molecular structure only. It is named after Kevin G. Joback in 1984 [1] and developed it further with Robert C. Reid. [2] The Joback method is an extension of the Lydersen method [3] and uses very similar groups, formulas, and parameters for the three ...

  5. Polar surface area - Wikipedia

    en.wikipedia.org/wiki/Polar_surface_area

    Molecules with a polar surface area of greater than 140 angstroms squared (Å 2) tend to be poor at permeating cell membranes. [1] For molecules to penetrate the blood–brain barrier (and thus act on receptors in the central nervous system ), a PSA less than 90 Å 2 is usually needed.

  6. Molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Molecular_geometry

    Molecular geometry influences several properties of a substance including its reactivity, polarity, phase of matter, color, magnetism and biological activity. [1] [2] [3] The angles between bonds that an atom forms depend only weakly on the rest of molecule, i.e. they can be understood as approximately local and hence transferable properties.

  7. Lipinski's rule of five - Wikipedia

    en.wikipedia.org/wiki/Lipinski's_Rule_of_Five

    Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would likely make it an orally active drug in humans.

  8. Hildebrand solubility parameter - Wikipedia

    en.wikipedia.org/wiki/Hildebrand_solubility...

    Its principal utility is that it provides simple predictions of phase equilibrium based on a single parameter that is readily obtained for most materials. These predictions are often useful for nonpolar and slightly polar (dipole moment < 2 debyes [citation needed]) systems without hydrogen bonding. It has found particular use in predicting ...

  9. Optical rotation - Wikipedia

    en.wikipedia.org/wiki/Optical_rotation

    All compounds can exhibit polarization rotation in the presence of an applied magnetic field, provided that (a component of) the magnetic field is oriented in the direction of light propagation. The Faraday effect is one of the first discoveries of the relationship between light and electromagnetic effects.