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The invariance properties of molecular descriptors can be defined as the ability of the algorithm for their calculation to give a descriptor value that is independent of the particular characteristics of the molecular representation, such as atom numbering or labeling, spatial reference frame, molecular conformations, etc. Invariance to molecular numbering or labeling is assumed as a minimal ...
Formula unit. In chemistry, a formula unit is the smallest unit of a non-molecular substance, such as an ionic compound, covalent network solid, or metal. [1][2] It can also refer to the chemical formula for that unit. Those structures do not consist of discrete molecules, and so for them, the term formula unit is used.
Formal charges in ozone and the nitrate anion. In chemistry, a formal charge (F.C. or q*), in the covalent view of chemical bonding, is the hypothetical charge assigned to an atom in a molecule, assuming that electrons in all chemical bonds are shared equally between atoms, regardless of relative electronegativity.
The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space. The chemical bonding within the molecule is also shown, either explicitly or implicitly.
A chemical formula used for a series of compounds that differ from each other by a constant unit is called a general formula. It generates a homologous series of chemical formulae. For example, alcohols may be represented by the formula CnH2n + 1OH (n ≥ 1), giving the homologs methanol, ethanol, propanol for 1 ≤ n ≤ 3.
e. In chemistry, pH (/ piːˈeɪtʃ / pee-AYCH), also referred to as acidity or basicity, historically denotes " potential of hydrogen " (or "power of hydrogen"). [ 1 ] It is a logarithmic scale used to specify the acidity or basicity of aqueous solutions. Acidic solutions (solutions with higher concentrations of hydrogen (H+) ions) are ...
In chemistry, the empirical formula of a chemical compound is the simplest whole number ratio of atoms present in a compound. [1] A simple example of this concept is that the empirical formula of sulfur monoxide , or SO, would simply be SO, as is the empirical formula of disulfur dioxide , S 2 O 2 .
PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH). PubChem can be accessed for free through a web ...
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