|
aliphatic-aromatic ketone
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 |
9940 |
613 |
|
|
| any polar X-H (X= N,O or S) |
1768 |
268 |
|
|
* 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 |
4996 |
216 |
|
|
| methylene |
1981 |
44 |
|
|
| methyl |
1998 |
85 |
|
|
| any aromatic C-H |
4996 |
75 |
|
|
| substituted aromatic carbon |
2051 |
10 |
|
|
| phenyl |
1427 |
34 |
|
|
* 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 |
678 |
135 |
|
|
| any uncharged NH |
482 |
* |
|
|
| any cationic NH |
56 |
* |
|
|
| aromatic cationic N-H |
7 |
* |
|
|
| amide NH |
85 |
41 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
100 |
* |
|
|
| cationic RNH3 |
18 |
6 |
|
|
| cationic R3NH |
2 |
* |
|
|
* 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 |
1090 |
128 |
|
|
| alcohol OH |
302 |
10 |
|
|
| phenol OH |
436 |
7 |
|
|
| water |
115 |
111 |
|
|
* 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 |
217 |
4 |
|
|
| cyano |
154 |
|
|
|
| pyramidal R3N |
8 |
* |
|
|
| uncharged planar R3N |
79 |
|
|
|
| cationic planar R3N |
4 |
|
|
|
|
| any terminal O |
2383 |
49 |
|
|
| any C=O |
2079 |
49 |
|
|
| amide C=O |
65 |
32 |
|
|
| ester C=O |
263 |
|
|
|
| carboxylate |
15 |
20 |
|
|
| aliphatic ether |
21 |
|
|
|
| linking O in esters |
177 |
|
|
|
| aromatic O |
31 |
|
|
|
| sulfoxide/sulfone O |
38 |
|
|
|
| nitro |
222 |
* |
|
|
* 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 |
253 |
14 |
|
|
| any C=S |
29 |
|
|
|
| aliphatic thioether |
19 |
6 |
|
|
| aromatic S |
42 |
|
|
|
* 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 |
334 |
|
|
|
| any C-Cl |
523 |
|
|
|
| any C-Br |
403 |
|
|
|
| any C-I |
30 |
|
|
|
| chloride ion |
54 |
|
|
|
| bromide ion |
27 |
|
|
|
| iodide ion |
4 |
|
|
|
* 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 |
3 |
|
|
|
| potassium ion |
1 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim 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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
20 |
27 |
|
|
| imidazole |
* |
19 |
|
|
| guanidinium |
* |
30 |
|
|
* This search has not been done.
|
|
