We use cookies to analyze our website traffic for enhancement
and to serve you a better experience for your search. View cookie policy

Deep Data
Home SDF/Mol File
loading

Chemical Compounds
Mol (SDF) File

Mol-Instincts Web-Information Project

Instant Mol (SDF) File For Download

The structural data file (Mol/SDF file) of chemical compounds is an integrated part of chemistry-related software packages to perform various scientific analysis. Most of the visualization programs as well as computational software are based on structural data files, which are frequently unavailable on the web. For our Mol-Instincts customers, we have developed an automatic process to generate the structural data file of chemical compounds available for download on the web. The structural data file can instantly be found by our search engine below.

The total number of chemical compounds processed so far is over 100 million. We will continuously update the additional structural data file of rare chemical compounds.

Search SDF·MOL File

Enter compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

What’s Available

In addition to the structural data file (Mol/SDF file), basic molecular information such as formula, chemical identifier, e.g., IUPAC name, SMILES String, InChI, etc., as well as a 2-dimensional and 3-dimensional images are provided.

Click the following link to visit an example page:

Example Page

Cholesterol SDF/Mol File - C27H46O | Mol-Instincts

This information stems from Chemical Compounds DEEP DATA SOURCE

WHAT IS IT? go to home

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you: