|
sulfonato
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
General
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C,N,O,S or H |
9953 |
9889 |
|
|
any polar X-H (X= N,O or S) |
4997 |
6200 |
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
C,H only
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any alkyl C-H |
4997 |
4547 |
 |
|
methylene |
1978 |
1444 |
 |
|
methyl |
1992 |
613 |
 |
|
any aromatic C-H |
4972 |
721 |
 |
|
substituted aromatic carbon |
2498 |
48 |
 |
|
phenyl |
1420 |
206 |
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
N-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any NH |
4997 |
3003 |
 |
|
any uncharged NH |
3815 |
* |
 |
|
any cationic NH |
4997 |
* |
 |
|
aromatic cationic N-H |
1350 |
* |
 |
|
amide NH |
465 |
1280 |
 |
|
uncharged C(sp2)/C(ar)-NH2 |
745 |
* |
 |
|
cationic RNH3 |
1998 |
224 |
 |
|
cationic R3NH |
352 |
* |
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
O-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any OH |
4993 |
3161 |
 |
|
alcohol OH |
1061 |
287 |
 |
|
phenol OH |
1354 |
119 |
 |
|
water |
3331 |
2755 |
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Other N or O
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
aromatic or sp2 N |
1180 |
43 |
 |
|
cyano |
781 |
|
 |
|
pyramidal R3N |
74 |
* |
 |
|
uncharged planar R3N |
1728 |
1 |
 |
|
cationic planar R3N |
1338 |
|
 |
|
any terminal O |
4508 |
1378 |
 |
|
any C=O |
2952 |
1378 |
 |
|
amide C=O |
224 |
887 |
 |
|
ester C=O |
198 |
|
 |
|
carboxylate |
57 |
178 |
 |
|
aliphatic ether |
133 |
|
 |
|
linking O in esters |
134 |
|
 |
|
aromatic O |
85 |
|
 |
|
sulfoxide/sulfone O |
38 |
|
 |
|
nitro |
420 |
* |
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Sulfur
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any S |
1674 |
48 |
 |
|
any C=S |
35 |
|
 |
|
aliphatic thioether |
27 |
10 |
 |
|
aromatic S |
279 |
|
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Halo/Halide
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C-F |
3701 |
|
 |
|
any C-Cl |
1470 |
|
 |
|
any C-Br |
157 |
|
 |
|
any C-I |
142 |
|
 |
|
chloride ion |
48 |
|
 |
|
bromide ion |
3 |
|
 |
|
iodide ion |
1 |
|
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/Halide|
Alkali Metal|
Amino acid
Alkali Metal
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
lithium ion |
19 |
|
 |
|
sodium ion |
514 |
|
 |
|
potassium ion |
131 |
|
 |
|
rubidium ion |
139 |
|
 |
|
cesuim ion |
182 |
|
 |
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Amino acid
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
CONH2 |
259 |
343 |
 |
|
imidazole |
* |
184 |
|
|
guanidinium |
* |
659 |
|
|
* This search has not been done.
|
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