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JChemPaint / jchempaint

Chemical 2D structure editor application/applet based on the Chemistry Development Kit
http://jchempaint.github.com
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input via SMILES disturbs later implicit hydrogen calculations? #129

Closed rwst closed 11 years ago

rwst commented 11 years ago
  1. Input SMILES C=C (ethylene)
  2. (with single bond active) click on double bond: NOT ethyne
  3. click on triple bond
  4. click on quadruple bond: H2C-CH2, should be H3C-CH3 see also #1