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aliphatic-aliphatic ketone aliphatic-aromatic ketone aromatic-aromatic ketone

aliphatic-aliphatic 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 9983 1707    
any polar X-H (X= N,O or S) 4978 823  
* 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 4997 521  
methylene 1999 89  
methyl 1999 79  
any aromatic C-H 4968 102  
substituted aromatic carbon 1664 10  
phenyl 1427 46  
* 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 2201 408  
any uncharged NH 1088 *  
any cationic NH 162 *  
aromatic cationic N-H 35 *  
amide NH 231 195
uncharged C(sp2)/C(ar)-NH2 116 *  
cationic RNH3 25 37
cationic R3NH 15 *  
* 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 2777 347  
alcohol OH 828 59
phenol OH 458 28
water 336 260
* 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 315 59  
cyano 185    
pyramidal R3N 16 *  
uncharged planar R3N 230    
cationic planar R3N 51    
any terminal O 3940 192  
any C=O 3094 192
amide C=O 160 93
ester C=O 398    
carboxylate 34 116
aliphatic ether 46    
linking O in esters 162    
aromatic O 32    
sulfoxide/sulfone O 56    
nitro 313 *  
* 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 462 79  
any C=S 82    
aliphatic thioether 15 4
aromatic S 71    
* 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 882    
any C-Cl 337    
any C-Br 224    
any C-I 42    
chloride ion 34    
bromide ion 13    
iodide ion 15    
* 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 13    
potassium ion 23    
rubidium ion 5    
cesuim ion 19    
* 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 118 46  
imidazole * 121  
guanidinium * 44    
* This search has not been done.




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