User guide

Exported Query Properties ISIS™ Mol Rxn
Not Center
X X
Other Query Attributes
Generic Nicknames
X
j
X
j
X
j
Element Lists
X
ko
X
ko
X
ko
Element Not Lists
X
k
X
k
X
k
Alternative Groups
X X
m
Anonymous Alternative
Groups
n n
Link Nodes
p p p
Bracket properties
X X X
Atom-Atom mapping
X X
Variable Attachment Posi-
tions
3D query properties
a—Converted to the appropriate number of exact substituents
b—Free Sites counts of zero translated to “Substitution as drawn”; all other Free Sites values written as substitution
counts equal to the total current valence plus the free sites value.
c—Substituent counts of greater than 5 are translated to “6 or more”
d—Converted to Wedged Hashed
e—Converted to Wedged
f—Converted to a Single, with a positive charge applied to that atom at the base of the dative bond and a negative
charge applied to the atom at the point of the dative bond
g—Interpreted by ISIS™ as unspecified cis/trans stereochemistry
h—Converted to Double
i—Converted to Aromatic
j—Only M, X, Q, A; others written as aliases
k—Truncated to the first 5 elements
l—Converted to single.
m—An RG file will be created automatically.
n—Converted to non-anonymous alternative groups.
o—Lists of greater than 5 elements converted to alternative groups.
p—The low end of the repeat range is always treated as 1.
ChemBioDraw 13.0
Chapter 11: Query structures 234 of 401