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benzene fused to aliphatic ring benzene fused to aromatic ring benzene fused to partially reduced aromatic ring

benzene fused to aliphatic ring



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 9985 938    
any polar X-H (X= N,O or S) 2702 187  
* 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 4975 441  
methylene 1997 114  
methyl 1997 228  
any aromatic C-H 4978 85  
substituted aromatic carbon 2496 24  
phenyl 1426 24  
* 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 697 99  
any uncharged NH 412 *  
any cationic NH 53 *  
aromatic cationic N-H 15 *  
amide NH 64 46  
uncharged C(sp2)/C(ar)-NH2 62 *  
cationic RNH3 16 13  
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 1995 88  
alcohol OH 1065 7  
phenol OH 151 6  
water 320 75  
* 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 734 1  
cyano 909    
pyramidal R3N 89 *  
uncharged planar R3N 445    
cationic planar R3N 28    
any terminal O 4992 147  
any C=O 4992 147  
amide C=O 170 43  
ester C=O 1659    
carboxylate 113 46  
aliphatic ether 787    
linking O in esters 705    
aromatic O 47    
sulfoxide/sulfone O 171    
nitro 554 *  
* 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 1510 3  
any C=S 189    
aliphatic thioether 237 2  
aromatic S 119    
* 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 2227    
any C-Cl 3407    
any C-Br 869    
any C-I 117    
chloride ion 226    
bromide ion 209    
iodide ion 55    
* 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 15    
potassium ion 11    
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 47 16  
imidazole * 6    
guanidinium * 18    
* This search has not been done.



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