Mol-Instincts l Usage Benefits

MOLINSTINCTS Product Summary

Mol-Instincts is…

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

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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.

Download Data & Information List

Property Data & Molecular Information Available:

More than 10 billion sets of data and information including:

Compound Identification information, e.g., 2D structure, formula, IUPAC name, and InChI
Thermo-physico-chemical and transport properties: 35 constant properties and 11 temperature dependent properties
20 sets of quantum information, more than 2,000 molecular descriptors, and 16 drug-related properties
Analytical data & information, e.g., optimized 3D structure, IR/VCD/NMR spectra (based on quantum calculations), vibrational frequencies, molecular orbitals.

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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.

HOME > MOL-Instincts USER BENEFITS > Usage Benefits

Get reliable data and information
The MOL-Instincts property values aren't just computer generated data. We never put them on the server directly after the estimation process. All the generated data are then subjected to inspection; this is done systematically using the experimental data within our collection. A semi-automatic analysis process is applied when no experimental data are available. Our technical staff examine thousands of data points and charts on a daily basis. You just enjoy the quality data.
No more spending time to search and find the data and information you need
Very likely, your target chemical compound is one of the 5+ million compounds stored in MOL-Instincts database server. Just search your compound from MOL-Instincts DB and check if your compound is available. We have the system of estimation process and we will never stop processing more compounds. Saving your time is our ultimate goal.
Get all the data and information in one place
MOL-Instincts provides a huge amount of data and information available per compound nowhere else to be found. No more spending time to check multiple database, websites, books, journals, and software. The data and information details you are looking for are very likely one of the 2,100+ data and information details per compound available in MOL-Instincts.
Get them easy and fast
Experience our easy search and easy find features. Enjoy the simple and intuitive user interface of the MOL-Instincts web search. Get the data and information fast. Only a few clicks are enough for that. Copy the data, information, and images for your further tasks and reports.
No need to learn or run any calculation software
You don't have time to learn how to use new software for property calculations. You don't have time to wait for the calculation to be finished. You don't have time to figure out why the calculation error occurred. And, you don't have time to check if the calculation results are reliable. We will do that all for you. You just concentrate on your own tasks.