Dear Arivu,

You asked for one of the most difficult properties to be predicted. Melting point is hard to be predicted for complex new synthesized compounds. The colour also you could predict it from experince (in the case of known structures) and maybe there exits some algorithms that i do not know...however the colour should be one of the last properties (in respect to the structure) you can look for in organic synthesis (this is what I belive). However please find below a site with software:

http://www.vcclab.org/online.html

http://insideinformatics.cambridgesoft.com/VideosAndDemos/Default.aspx?ID=105

And also to articles I found interesting in melting point prediction..you will observe why is so difficult to predict the mp.

http://www.ark.chem.ufl.edu/Published_Papers/PDF/716.pdf

http://pubs.acs.org/doi/abs/10.1021/ct301095j

Best wishes,

Marcel

Hi Arivu,

Try this one

http://www.organic-chemistry.org/prog/peo/

Most important site that not only gives prediction as well as reference for given compound.

http://www.chemspider.com/

A free software program that you can download and gives a good prediction of several physicochemical properties (such as logP, logD, MW, HBDH, M_NO, TPSA and Ro5 violations) is Med Chem Designer.

You can find it here: http://www.simulations-plus.com/Products.aspx?grpID=1&cID&pID=25

Sometimes firms dealing with fine purity chemicals add or send to purchaser "demo" versions diskets dealing with properties of various chemicals supplied by them.

ChemDraw Ultra in the ChemBioOffice Suite 2012 allows you to draw any structure and show predicted Chemical Properties from the menu:- View/ Chemical Properties.

Selected Chemical properties from this window can be pasted below the entered structure. Color is not one of the properties.

Hope this is helpful

Cheers Don Harney

Some properties you can calculate (predict) or get known ones on site http://www.chemicalize.org

For physical properties you can search MSDS for thar particuler compound

You will have hard time predicting the melting point. This is one of the hard to predict property. You could try this tool to predict it with the well known Joback method:

https://www.chemeo.com/predict?smiles=CCCC

Chemaxon may help you

https://docs.chemaxon.com/display/docs/logD+Plugin

Also, with ChemBioDraw there is possibility to predict LogP, polar surface area

Melting point is hard to be predicted unless you refer to similar compounds and predict a value but still this option is not recommended

Anyway, if you think the compound is known you can give a shot on Scifinder

Regards

you can use the following link to find the physical and chemical properties of the compound....

1. https://www.organic-chemistry.org/prog/peo/

2. https://www.acdlabs.com/products/percepta/predictors.php

3. http://www.chemspider.com/

4. https://chemicalize.com/

5. https://www.chemeo.com/predict?smiles=CCCC

How do I expect the melting point of any synthesized chemical materials ?

Hello everyone, I was wondering for what kind of applications do we need such software and for what benefit? Have you heard about any use in the industry for example? Thanks for your help!

Did you find anything useful?

Mol inspiration and swiss adme

Mol inspiration and swiss adme

Mol inspiration and swiss adme

If the compound already exists you can find the most of the properties in the PubChem database. If the compound is novel, you can predict by ChemDraw, ChemSketch, or any other online tools.

Try to use Chemoffice 2019

I have explored this recently,

https://www.aatbio.com/tools/predictive-modeling/melting-point-predictor