wInChI - GUI software for calculation of IUPAC International Chemical Identifiers (InChIs)

wInChI is a 64-bit GUI software for Microsoft® Windows platforms designed to:

• calculate InChI structure-based chemical identifiers, i.e. InChI strings, keys and auxilliary information (AuxInfo)
• visually represent input chemical structures.

Until InChI version v.1.07.0, wInChI was an integral part of InChI software, but is now being developed as an individual project. Nevertheless, wInChI will be regularly updated with every new release of InChI software.

InChI is a structure-based textual identifier, strictly unique, non-proprietary, open source, and freely accessible, whose identifiers describe chemical substances in terms of layers of information – the atoms and their bond connectivity, tautomeric information, isotope information, stereochemistry, and electronic charge.

Figure 1. Aspirin® represented in wInChI with generated InChI string, key and auxiliary information (AuxInfo).

More detailed information about the InChI software, including its source code and binaries/APIs, can be found at InChI GitHub repository.

Please check the cross-platform InChI Web Demo, a web-based GUI for calculation of InChI strings and keys from chemical structures' visual depictions.

wInChI release notes

• Version 1.07.2 (19/01/2025):
  • First version of wInChI which is entirely built using Microsoft® Windows API, Microsoft® MFC and Microsoft® MSVC compiler.
  • Supports InChI versions 1.07.2 as well as 1.06 (once provided with the source code of corresponding InChI version in INCHI-1-SRC folder). Please refer to compiling from source.

Using precompiled binaries

64-bit precompiled binary (executable) entitled winchi-1.exe is located in the following folder: WINCHI-BIN/windows/64bit/.

Compiling from source

• Since wInChI has been developed using Microsoft® Windows API and Microsoft® MFC, Microsoft® Visual C++ (MSVC) compiler is recommended for building wInChI from the source.
• Microsoft® Visual Studio solution wIChI.sln is located in the root of the wIChI folder, and consists of two projects:
  • main wIChI project, with source code files located in wIChI/src folder
  • supporting IChI_lib project, with source code files located in IChI_lib/src folder
• Once successfully compiled, winchi-1.exe executable will be located in:
  • wIChI/x64_Release for Release solution configuration
  • wIChI/x64_Debug for Debug solution configuration.

External links and references

• IUPAC
• InChI Trust