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Chemical Compounds
Mol (SDF) File

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Download Structural Data (Mol·SDF) File For Over 100 Million Compounds

Structural data (Mol·SDF) files are indispensable for scientific analyses in various chemical software platforms but are frequently difficult to find online. Our Chemical Compounds Deep Profiling Services (CC-DPS) bridge this gap by offering comprehensive access to the structural data for over 100 million chemical compounds. Each compound's profile includes essential identifiers such as InChI, SMILES strings, and IUPAC names, and is augmented by visual aids such as 2D and 3D images. CC-DPS goes far beyond, offering an expansive array of over 2,100 sets of crucial information per compound, empowering your chemical research and development.

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

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