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ChemicaElectrica Database

Search this Extensive Database for Properties of Molecules of Interest

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The ChemaElectrica Database contains over 5,400 molecules of pharmaceuticals, pesticides, flavors and fragrances, solvents, surfactants, gasses, amino acids, and more. All of the fields listed below can be searched in addition to more than 100 calculated fields useful in QSAR/QSPR work optimized 3-D structures. You can use the read-only viewer to browse the information or edit the database using Molecular Modeling Pro Plus or other modeling programs that can open SD or XML file formats.

The most common types of molecules in the database are pharmaceuticals, pesticides, solvents, surfactants, dyes, flavors, fragrances, amino acids and other molecules of biological interest.

Fields Included

  • Name
  • Trade Names & Manufacturer
  • Use & Mode of Action
  • SMILES
  • IUPAC Name (about 10%)
  • CAS Numbers
  • Molecular Formula
 

Literature Properties

  • Molecular Weight
  • Melting Point
  • Boiling Point
  • Flash Point
  • Density
  • Water Solubility
  • Log P
  • Oral LD50
  • ...many more partially filled
  • AND over 100 calculated properties.

File Formats Required:

Requires software that can recognize one of these formats: CSV, SDF, XML

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