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ExplicitHs
Greg Landrum edited this page Dec 4, 2019
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When Hs are removed from a molecule, all Hs are removed except:
- Hs where an isotope has been set
- Hs that have a wedged or dashed bond to them
- Hs bonded to atoms with tetrahedral stereochemistry set ("Chiral Hs")
- Hs bonded to atoms with three (or more) ring bonds that are not simply protonated
- Hs bonded to atoms in a non-default valence state that are not simply protonated
For the above, the definition of "simply protonated" is an atom with charge = +1 and a valence that is one higher than the default.
Here are some examples
Original | Standardized | Notes |
---|---|---|
Only noncyclic bond is to a chiral center |