Other than a connection table, what is needed to generate an InChI?
If the species has potentially mobile hydrogen atoms, the user needs to specify whether to represent the substance assuming H-mobility as associated with tautomerization or as a substance with all H-atoms fixed. Most users will probably wish to select “Mobile H Perception”. For a demonstration of switching “Mobile-H Perception” on and off and the effects it has on the InChI click here. Also, if the structure is organometallic, the user needs to specify whether the fully bonded structure will be appended to the disconnected metal atoms structure (by selecting “Include bonds to metal”). Except for compounds composed entirely of covalent bonds, this representation is generally not preferable (as the InChI will contain a layer that may depend on drawing conventions). For a demonstration of switching “Include bonds to metal” on and off and the effects it has on the InChI click here. –> Also, when appropriate, a stereodescription may be entered as a single enantiomer, a racemic mixture, or,
