As of 2017, a large database of 1.1 million RInChIs has been compiled, which can be searched and analysed relatively easily. The tools for doing this are below, and some helpful information is given in the help pages.

Python 3

Please note that the RInChI code now runs on Python 3

RInChI-Key Lookup

The RInChI Database can match RInChI keys to RInChIs, provided those RInChIs are stored in the database. Enter the long RInChI key below:

Key Type

Database Search

Combining several of the RInChI Analysis and Database search tools, the RInChI database can be searched on a number of different parameters, such as ring presence or change, change in hybridisation of carbon centres, and presence of specific reagents.

Search Type

Filters

Changes should be inputted in the form 'sp2=1,sp3=-1,sp=4,...'

Role

Output