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


  • MOL-Instincts is a database containing property data and molecular information of chemical compounds for industrial applications. It is also meant to be used for research and development in the many fields of science and engineering.
  • Our database includes thermodynamic properties, physico-chemical properties, transport properties, quantum chemical information, molecular descriptors, drug-related properties, spectra information, optimized 3D structure, and orbital information.
  • All the data and information were produced by our model estimation based on quantum chemical calculations and modern theoretical approaches, followed by 5+ years of accuracy verification with experimental data and manual quality inspections.
  • Currently, we have more than 4 million chemical compounds, and 2,100+ properties and information per compound available.
  • MOL-Instincts has been designed to provide a solid foundation for both scientific and engineering tasks in order to reduce uncertainties in industrial developments and R&D works.
  • The name ‘MOL-Instincts’ means the instincts of molecules, reflecting their fundamental characters.