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.



  • Property data and molecular information of chemical compounds
  • Compounds property data and the molecular information with innovative estimation technologies
  • Fundamentals of pure compounds by carrying out quantum calculations
  • Special and rare Chemicals for Chemical Process
  • ChemEseen Inc - Chemical professionals


  • Scientists and engineers need the property data and the molecular information in the beginning of their many industrial applications and R&D in their respective fields – this information is like the foundation of a house, which affects the stability of the entire home.

    There are about 40 different thermo-physico-chemical properties and thousands of pieces of molecular information per chemical compound that are required in the many differing areas science and engineering applications.

    So far, the property data are available for about only 45,000 compounds, while the number of chemicals registered in CAS are more than 271 million as of 2022 (see CAS website) - that is less than 0.02%.
  • These 45,000 compounds that are available do not even have all the data and information. There are compounds which have only one or two property values associated with them. Usually, only thousands of compounds are available per property. In addition, noisy and inaccurate experimental data exist in the 0.02% too frequently.
  • Why are more than 99.98% missing? Simple. Properties have mostly been determined by experimentation, the traditional, time consuming, and expensive methods. Not even all the data in the 0.02% were determined by experiments. Some properties, e.g. critical properties, were largely determined by inaccurate estimation methods.
  • Why MOL-Instincts? Simple again. The information is trustworthy - innovative estimation technologies followed by human inspection. The information is abundant - 4 million compounds and comprehensive and extensive 2,100+ properties and information per compound. Working with MOL-Instincts is fast and easy one-stop solution- no need to learn or run any calculation software, just a few clicks to get the in-depth data & information you require.