Substructure search

Hi there this is a rather simple question, but I just don't get it:


I am trying to search a database for a phenyl ring, which one sulfone and one nitro group attached in any relative position. I successfully drew the Substructure I want to search for. It looks like the attached png.


However when I do the Substructure search, I do obtain no hits, despite the fact, that there are several Compounds having that substructure.


What do I do wrong?


Cheers Markus

Hi Markus,





Multiposition bond search is supported from JChem 5.1. (Changelist of versions can be found here.)


IJC 2.4 is the first version that uses JChem 5.1[.3] so IJC 2.3 (and below) won't find your structure.


Please let me know if this hasn't helped you or need more help.





Best regards,


Tamás