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3-methoxyphenyl; methyl proximal to C1 3-methoxyphenyl; methyl remote from C1

3-methoxyphenyl; methyl remote from C1



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 2495 274    
any polar X-H (X= N,O or S) 294 62  
* 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 1996 105  
methylene 448 22  
methyl 587 38  
any aromatic C-H 1996 23  
substituted aromatic carbon 746 4  
phenyl 328 6  
* 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 159 25  
any uncharged NH 96 *  
any cationic NH 2 *  
aromatic cationic N-H   *    
amide NH 32 16  
uncharged C(sp2)/C(ar)-NH2 21 *  
cationic RNH3 1 2  
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 134 37  
alcohol OH 43 13  
phenol OH 5 1  
water 29 23  
* 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 161 3  
cyano 106    
pyramidal R3N 1 *  
uncharged planar R3N 32    
cationic planar R3N 5    
any terminal O 571 66  
any C=O 435 66  
amide C=O 50 47  
ester C=O 71    
carboxylate 13 11  
aliphatic ether 14    
linking O in esters 23    
aromatic O 23    
sulfoxide/sulfone O 21    
nitro 73 *  
* 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 136 3  
any C=S 39    
aliphatic thioether 3 3  
aromatic S 27    
* 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 127    
any C-Cl 110    
any C-Br 33    
any C-I 29    
chloride ion 11    
bromide ion 12    
iodide ion 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion        
sodium ion        
potassium ion        
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 13 2  
imidazole * 4    
guanidinium *      
* This search has not been done.




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