MOLINSTINCTS Product Summary

Mol-Instincts is…

A database providing thermo-physico-chemical & transport properties and fundamental molecular information of pure compounds.

Compounds Available:

More than 2.5 million compounds including:

  • Hydrocarbons, hetero-compounds (including atoms other than C and H), free radicals, and drug-like compounds
  • Compounds included in fuels such as gasoline, jet-fuel, diesel, and biodiesel
  • Compounds included in chemical processes such as thermal cracking, catalytic cracking, hydrocracking, desulfurization, isomerization,
    catalytic reforming, combustion, gas-to-liquid (GTL), coal-to-liquid (CTL), and methanol-to-olefin/gasoline (MTO/MTG)

Limitation: The maximum number of carbon atoms currently up to 57 (mostly to 25). Pure compounds with C, H, N, O, and S atoms only.

Property Data & Molecular Information Available:

More than 10 billion sets of data and information including:

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How Mol-Instincts Developed?

All the data and information were determined by…

The most advanced technology based on quantum chemistry, QSPR (Quantitative Structure–Property Relationships), and/or ANN (Artificial Neural Network) followed by 5+ years of professional verification with the corresponding experimental data available to date.

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How to access Mol-Instincts database…

Download and install Mol-Instincts Navigator software, which connects you to the Mol-Instincts database server online worldwide. Search all the compound list . Play with the 20 pre-determined demo compounds plus 10 compounds at your own choice (free). Then, choose a subscription plan fits for your purpose.



  • What is MOLINSTICTS?
  • How MOLINSTICTS Developed?
  • Who need MOLINSTICTS?
  • Who developed MOLINSTICTS?
  • When is MOLINSTICTS Available?

Who developed MOLINSTICTS?

    database of chemical compound properties, structures, and reactions
  • The commercial version of MOL-Instincts has officially been released since December, 2012. All the property data and the information are ready for service and our DB servers are available worldwide as well. You can go ahead and place an order after tying the demo version as needed.

  • In 2011, MOL-Instincts went through a closed-alpha test for about a year with a number of local chemical engineers and software engineers from national universities. Then, the MOL-Instincts on-line services were tested in a world-wide open beta during the 5 months of 2012. Thousands of scientists and engineers from all over the world visited MOL-Instincts website and participated the beta test.

    web-based search for chemical database
  • Based on the comments by the beta testers, many upgrades have been made, including OS-independent accesses and substructure search improvements. We are now confident to offer an official on-line service of MOL-Instincts. At the same time, we will keep upgrading our services according to what we hear from you.