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:

View Accuracy(Login required)

How Mol-Instincts Developed?

All the data and information were determined by…

The most advanced technology based on quantum mechanics, 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.



  • Application Benefits
  • Usage Benefits
  • Sign-up Benefits
  • Open Beta Benefits

Sign-up Benefits


Click the "Apply for Free Trial" button above to start enjoying the benefits. Of course, free Trial is free. You will enjoy the following:

  • Free access to full data and information for 20 selected compounds extensive coverage of information in organic chemistry

    You will be able to access full data and information for 20 selected chemical compounds at no charge. Click the button below to view the list of 20 selected compounds. Simply use the name of the compounds in the list when you search within the MOL-Instincts Web Search.

    View 20 free compounds

  • Free activation of your own account

    A personal account page called 'My Page' is created for each registered user. It contains your own message system called 'My Message Box', which enables you to communicate directly with MOL-Instincts staff. You can request materials such as MOL-Instincts leaflet within the My Page. Also, when the commercial version of MOL-Instincts is available, you will be able to track your purchase order history.

    reliable and accurate information of chemical structures and properties
  • Comprehensive and in-depth chemical data and information of molecules

    Free access to technical dataFree Trial users can view various technical data available on MOL-Instincts website such as MOL-Instincts values compared with refined experimental data. Various property data and spectroscopic information are also available.