|
coumarin
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 |
9857 |
973 |
|
|
| any polar X-H (X= N,O or S) |
1733 |
342 |
|
|
* 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 |
4977 |
274 |
|
|
| methylene |
957 |
81 |
|
|
| methyl |
1946 |
96 |
|
|
| any aromatic C-H |
4958 |
234 |
|
|
| substituted aromatic carbon |
2462 |
24 |
|
|
| phenyl |
1275 |
67 |
|
|
* 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 |
669 |
134 |
|
|
| any uncharged NH |
413 |
* |
|
|
| any cationic NH |
42 |
* |
|
|
| aromatic cationic N-H |
6 |
* |
|
|
| amide NH |
177 |
26 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
57 |
* |
|
|
| cationic RNH3 |
6 |
25 |
|
|
| 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 |
1059 |
196 |
|
|
| alcohol OH |
185 |
12 |
|
|
| phenol OH |
351 |
36 |
|
|
| water |
109 |
148 |
|
|
* 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 |
7 |
|
|
| cyano |
116 |
|
|
|
| pyramidal R3N |
12 |
* |
|
|
| uncharged planar R3N |
183 |
|
|
|
| cationic planar R3N |
7 |
|
|
|
|
| any terminal O |
4005 |
96 |
|
|
| any C=O |
4418 |
96 |
|
|
| amide C=O |
244 |
45 |
|
|
| ester C=O |
1932 |
|
|
|
| carboxylate |
9 |
27 |
|
|
| aliphatic ether |
42 |
|
|
|
| linking O in esters |
1975 |
|
|
|
| aromatic O |
44 |
|
|
|
| sulfoxide/sulfone O |
49 |
|
|
|
| nitro |
158 |
* |
|
|
* 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 |
450 |
16 |
|
|
| any C=S |
113 |
|
|
|
| aliphatic thioether |
10 |
4 |
|
|
| aromatic S |
131 |
|
|
|
* 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 |
507 |
|
|
|
| any C-Cl |
410 |
|
|
|
| any C-Br |
291 |
|
|
|
| any C-I |
43 |
|
|
|
| chloride ion |
7 |
|
|
|
| bromide ion |
10 |
|
|
|
| iodide ion |
12 |
|
|
|
* 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 |
|
|
|
|
| potassium ion |
1 |
|
|
|
| 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 |
13 |
19 |
|
|
| imidazole |
* |
39 |
|
|
| guanidinium |
* |
27 |
|
|
* This search has not been done.
|
|
