Wednesday, 11 December 2013

SMILES :)

Assalamualaikum guys.. hopefully you smile and happy always..

let us smile together......

huh, why i asked you to smile and smile today? haha..
actually just want you to get the mood because today we will learn about SMILES.. But not smile in that picture ok..;)

SMILES is the short form of Simplified Molecular Input Line Entry System. This system uses atomic symbol and a set of intuitive rules. It also uses hydrogen-suppressed molecular graphs(HSMG). There are two types of smiles.

1) Canonical SMILES
2)Isomeric SMILES

Let us introduce you a few types of bonds of SMILES:

BOND
SINGLEshows a single bond(-)
DOUBLEshows a double bond(=)
TRIPLEshows a triple bond
AROMATICcan be omitted
There are a few SMILES charges that we need to know. There are:

[H+]       : proton

[OH-]     : hydroxyl anion


[OH3+]  : hydronium cation


[Fe++]    : iron(II) cation


[NH4+]   : ammonium cation



Please take note that the further Restrictions for SMILES are:
*A branch cannot begin a SMILES notation
*A branch cannot immediately follow a double-or triple-bond symbol
*Example: C=(CC)C is invalid, but
*C(=CC)C or C(CC)=C are valid SMILES


How to draw the structure given???
Let us learn together..:)
If we want to draw this structure for example, we just can draw it by using the chemsketch application.
1) Open the chemsketch application
2) Choose the shape that we want to use / draw
3) Put the atom that we want to put ( in this case, Cl).

Here is another product that we can get...





So, to be more improve, you can practice by your own..
Remember, practice makes perfect!! :)



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