|
naphthalene
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 |
9906 |
4339 |
|
|
any polar X-H (X= N,O or S) |
4990 |
1112 |
|
|
* 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 |
4950 |
1779 |
|
|
methylene |
1976 |
464 |
|
|
methyl |
1996 |
710 |
|
|
any aromatic C-H |
4971 |
584 |
|
|
substituted aromatic carbon |
2495 |
75 |
|
|
phenyl |
1425 |
209 |
|
|
* 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 |
4418 |
409 |
|
|
any uncharged NH |
2051 |
* |
|
|
any cationic NH |
864 |
* |
|
|
aromatic cationic N-H |
242 |
* |
|
|
amide NH |
726 |
107 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
355 |
* |
|
|
cationic RNH3 |
110 |
32 |
|
|
cationic R3NH |
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
O-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any OH |
4957 |
670 |
|
|
alcohol OH |
1007 |
105 |
|
|
phenol OH |
3251 |
56 |
|
|
water |
1493 |
509 |
|
|
* 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 |
3318 |
19 |
|
|
cyano |
1753 |
|
|
|
pyramidal R3N |
168 |
* |
|
|
uncharged planar R3N |
1254 |
1 |
|
|
cationic planar R3N |
263 |
|
|
|
any terminal O |
4930 |
732 |
|
|
any C=O |
4990 |
732 |
|
|
amide C=O |
1392 |
303 |
|
|
ester C=O |
1995 |
|
|
|
carboxylate |
871 |
110 |
|
|
aliphatic ether |
553 |
|
|
|
linking O in esters |
1112 |
|
|
|
aromatic O |
161 |
|
|
|
sulfoxide/sulfone O |
561 |
|
|
|
nitro |
1377 |
* |
|
|
* 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 |
3604 |
126 |
|
|
any C=S |
517 |
|
|
|
aliphatic thioether |
104 |
70 |
|
|
aromatic S |
453 |
|
|
|
* 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 |
4968 |
|
|
|
any C-Cl |
4205 |
|
|
|
any C-Br |
1755 |
|
|
|
any C-I |
452 |
|
|
|
chloride ion |
400 |
|
|
|
bromide ion |
308 |
|
|
|
iodide ion |
139 |
|
|
|
* 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 |
1 |
|
|
|
sodium ion |
29 |
|
|
|
potassium ion |
12 |
|
|
|
rubidium ion |
5 |
|
|
|
cesuim ion |
10 |
|
|
|
* 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 |
101 |
102 |
|
|
imidazole |
* |
72 |
|
|
guanidinium |
* |
68 |
|
|
* This search has not been done.
|
|