Thursday, February 13, 2014

Aromaticity: The atoms C, O, S and N are shown in lowercase letters when you belong to aromatic rin

SMILES | Zoelita's Blog
In chemistry, Simplified Molecular Input Line Entry Specification glue (SMILES) code is a linear molecular description can write all the details, the structure of a molecule using short ASCII strings. SMILES strings can be imported by most editors to generate molecular structures drawn bidimensionalment nomenclature or three-dimensional models.
Atoms: standard glue represented by the abbreviation in brackets can be omitted in C, N, O, P, S and halogens glue in organic subsets. glue If done well, assumed implicit hydrogens. For example, water is SMILE O.
Links: In a SMILE assumed that the chain links are simple but put "=" to express a double bond and a "#" for a triple. Cycles used to close the connectivity between atoms labeling the two atoms linked.
Aromaticity: The atoms C, O, S and N are shown in lowercase letters when you belong to aromatic rings. For example, pyridine is n1ccccc1. The heteroatom (N) represents the pirrole [nH] and for example, glue imidazole written n1c [nH] CC1.
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