InChI Web Demo

Select InChI version

InChI

InChIKey

AuxInfo

Log

Select InChI version

InChI

InChIKey

AuxInfo

Log

Select InChI version

Log

Select RInChI version

RInChI

Long-RInChIKey

Short-RInChIKey

Web-RInChIKey

RAuxInfo

Log

Force equilibrium

Select RInChI version

RInChI

Long-RInChIKey

Short-RInChIKey

Web-RInChIKey

RAuxInfo

Log

Select RInChI version

Log

Please note: The generated RXN file will contain zero atom coordinates in case no RAuxInfo with atom coordinates is provided. Unfortunately, the "clean" function of the Ketcher structure editor cannot properly recalculate the coordinates at the moment.

Select output format

RXN file

RD file

Select RInChI version

Log

RXN/RD file

Funding

Development of this demo application has been supported by the following organizations:

The Volkswagen Foundation with the project Universal molecular syntax for sustainable machine learning applications.

NFDI4Chem funded by the German Research Foundation (project number 441958208).

"Logo of NFDI4Chem" by TimeSpin is licensed under CC BY-SA 4.0.

DALIA funded by the German Federal Ministry of Education and Research (funding ID 16DWWQP07B) and Next Generation EU.