|
4-methoxyphenyl
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 |
|
26 |
|
|
any polar X-H (X= N,O or S) |
1996 |
3 |
|
|
* 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 |
1989 |
|
|
|
methylene |
1247 |
|
|
|
methyl |
1247 |
|
|
|
any aromatic C-H |
|
63 |
|
|
substituted aromatic carbon |
|
|
|
|
phenyl |
998 |
|
|
|
* 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 |
1996 |
|
|
|
any uncharged NH |
1637 |
* |
|
|
any cationic NH |
175 |
* |
|
|
aromatic cationic N-H |
84 |
* |
|
|
amide NH |
445 |
|
|
|
uncharged C(sp2)/C(ar)-NH2 |
226 |
* |
|
|
cationic RNH3 |
28 |
1 |
|
|
cationic R3NH |
|
* |
|
|
* 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 |
1996 |
6 |
|
|
alcohol OH |
1160 |
5 |
|
|
phenol OH |
574 |
|
|
|
water |
630 |
|
|
|
* 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 |
1663 |
1 |
|
|
cyano |
1663 |
|
|
|
pyramidal R3N |
130 |
* |
|
|
uncharged planar R3N |
743 |
|
|
|
cationic planar R3N |
88 |
|
|
|
any terminal O |
1996 |
|
|
|
any C=O |
1996 |
|
|
|
amide C=O |
905 |
|
|
|
ester C=O |
1247 |
|
|
|
carboxylate |
204 |
|
|
|
aliphatic ether |
537 |
|
|
|
linking O in esters |
1247 |
|
|
|
aromatic O |
532 |
|
|
|
sulfoxide/sulfone O |
427 |
|
|
|
nitro |
1172 |
* |
|
|
* 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 |
2495 |
|
|
|
any C=S |
594 |
|
|
|
aliphatic thioether |
176 |
|
|
|
aromatic S |
596 |
|
|
|
* 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 |
|
|
|
|
any C-Cl |
1996 |
|
|
|
any C-Br |
1081 |
|
|
|
any C-I |
360 |
|
|
|
chloride ion |
258 |
|
|
|
bromide ion |
91 |
|
|
|
iodide ion |
51 |
|
|
|
* 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 |
9 |
|
|
|
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 |
128 |
14 |
|
|
imidazole |
* |
|
|
|
guanidinium |
* |
4 |
|
|
* This search has not been done.
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