openmolecules.org

 
Home » DataWarrior » Cheminformatics » Compound properties
Compound properties [message #198] Thu, 15 September 2016 20:41 Go to previous message
xhubei08 is currently offline  xhubei08
Messages: 1
Registered: September 2016
Location: Ohio
Junior Member
Compound properties such as "Aromatic Atoms count" and "sp3-Atoms count" are calculated via the "Add Compound Properties" entry in DataWarrior. Is there a document in which all the compound properties are defined? For example, I would like to know if hydrogen atoms are included in "Aromatic Atoms Count".

Thanks,
Xiche Hu
 
Read Message
Read Message
Previous Topic: File format
Next Topic: ChemAxon calculated properties
Goto Forum:
  


Current Time: Thu Oct 21 14:08:28 CEST 2021

Total time taken to generate the page: 0.01890 seconds