| largest fragment not recognized as such [message #2461] |
Thu, 29 January 2026 15:50 |
nbehrnd
Messages: 240
Registered: June 2019
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Senior Member |
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Hello Thomas
Expanding from another question, DW processes fragments differently than expected by me -- does the following represent a bug?
In the structure editor, 2,6-lutidine and a few molecules of water were defined. Subsequently, I launched the computation of the molecular weight while "Largest Fragment Only" was activated (via chemistry -> from chemical structure -> calculate properties, cf. screenphoto attached). Contrasting to my anticipation, the result provided however is not 107 g/mol about lutidine alone, but 143 g/mol (i.e. including two molecules of water). To me, this is counterintuitive (though, as a bypass, I can split off the pyridine by "extract largest fragment" for an eventually referenced new column, too.)
Best regards,
Norwid
setup: DW 06.05.02 by September 2025
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