|
morpholin-4-yl; pyramidal N
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 |
9911 |
3501 |
|
|
| any polar X-H (X= N,O or S) |
1175 |
1349 |
|
|
* 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 |
4925 |
783 |
|
|
| methylene |
1311 |
217 |
|
|
| methyl |
1620 |
280 |
|
|
| any aromatic C-H |
4945 |
575 |
|
|
| substituted aromatic carbon |
1172 |
108 |
|
|
| phenyl |
1203 |
95 |
|
|
* 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 |
531 |
292 |
|
|
| any uncharged NH |
322 |
* |
|
|
| any cationic NH |
8 |
* |
|
|
| aromatic cationic N-H |
2 |
* |
|
|
| amide NH |
74 |
75 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
76 |
* |
|
|
| cationic RNH3 |
1 |
24 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
644 |
1053 |
|
|
| alcohol OH |
145 |
45 |
|
|
| phenol OH |
184 |
83 |
|
|
| water |
136 |
925 |
|
|
* 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 |
502 |
14 |
|
|
| cyano |
195 |
|
|
|
| pyramidal R3N |
335 |
* |
|
|
| uncharged planar R3N |
94 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
1310 |
824 |
|
|
| any C=O |
884 |
824 |
|
|
| amide C=O |
173 |
348 |
|
|
| ester C=O |
194 |
|
|
|
| carboxylate |
5 |
231 |
|
|
| aliphatic ether |
1559 |
|
|
|
| linking O in esters |
97 |
|
|
|
| aromatic O |
58 |
|
|
|
| sulfoxide/sulfone O |
27 |
|
|
|
| nitro |
257 |
* |
|
|
* 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 |
380 |
29 |
|
|
| any C=S |
113 |
|
|
|
| aliphatic thioether |
21 |
21 |
|
|
| aromatic S |
57 |
|
|
|
* 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 |
406 |
|
|
|
| any C-Cl |
449 |
|
|
|
| any C-Br |
145 |
|
|
|
| any C-I |
60 |
|
|
|
| chloride ion |
24 |
|
|
|
| bromide ion |
12 |
|
|
|
| iodide ion |
|
|
|
|
* 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 |
|
|
|
|
| sodium ion |
5 |
|
|
|
| potassium ion |
|
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
|
|
|
|
* 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 |
22 |
101 |
|
|
| imidazole |
* |
42 |
|
|
| guanidinium |
* |
59 |
|
|
* This search has not been done.
|
|
