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reymond-group / smilesDrawer

A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
https://smilesdrawer.rocks
MIT License
416 stars 66 forks source link

Isotopes are ambiguous in carbon chains #179

Open jkrejci7 opened 9 months ago

jkrejci7 commented 9 months ago

When a chain of 13Cs are drawn, there is no indication that any or all of the carbons are 13C isotopes.

For example: [13CH2]([13CH2][13C@@H]([13C](=O)O)N)[13CH2]N

All carbons in this molecule are 13C, but this is only clear in the COOH group.

image

Or with compoundDrawing: false, it's not clear that any of the carbons are 13C.

image

jkrejci7 commented 9 months ago

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