InChI Software Downloads

Below are the current versions of;
  • InChI core software (v1.06)
  • reaction InChI / RInChI (v1.00).

InChI version 1.06

Download InChI version 1 (software version 1.06) for Standard and Non-Standard InChI/InChIKey (15 December 2020)

    • – InChI Software source codes. This file/directory also contains examples of InChI API usage.
Please use the SourceForge inchi-discuss list for any comments (register via InChI Software v. 1.06 includes several additions and modifications to previous versions; it is a combination of “bugfix release” and “feature release”.

What is new:

  • security-related bugfixes;
  • a number of other bugfixes and minor improvements;
  • experimental support for pseudo element (Zz, or “star”) atoms;
  • modified experimental support of InChI/InChIKey for regular single-strand polymers (explicit
  • pseudo atoms are used);
  • minor update to InChI API Library;
  • optional support of Intel(R) Threading Building Blocks scalable memory allocators;
  • several convenience features and corresponding software options.
For more details, please check the documents included in the distribution (all in PDF format):
  • -RelNotes (a brief description of novel and changed features)
  • CHANGELOG (list of changes relative to the previous release)
  • KNOWNISSUES (list of known issues)
  • LICENCE (IUPAC/InChI Trust software licence)
  • InChI_UserGuide (software user’s guide)
  • InChI_API_Reference (programmer’s reference for API library)
  • InChI_TechMan (technical manual on InChI identifier)

    RInChI version 1.00

    • Download the RInChI version 1.00 (23 March 2017)

    In 2011, the first prototype of RInChI was introduced as version 0.02 based on Python programming (Grethe, Goodman, & Allen, 2013). To make the resulting libraries comparable with InChI deliveries, to increase the search ability of RInChIKeys in the Web by the introduction of the Web-RInChIKey and to fix a number of bugs and development gaps in the former version this new version (version number 1.00) has been created.
        • RInChI V1-00-0.pdf – RInChI release documentation, also included in the download zip (March 2017).

      InChI FAQ

      The InChI FAQ attempts to answer common questions on InChI-related concepts and the structure and meaning of InChIs. Where possible it quotes directly from the official IUPAC/InChI Trust sites and the distribution. The description of InChI in this FAQ corresponds now to the latest software release and the latest official documentation. Most of the examples use Standard InChI & InChIKey. The InChI FAQ is viewable online in two formats:
        It may also be downloaded in DOC format:   Find out about the Certification Suite here.