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1,3-benzodioxole

1,3-benzodioxole



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 9930 1438    
any polar X-H (X= N,O or S) 1479 399  
* 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 4990 503  
methylene 1991 166  
methyl 1962 188  
any aromatic C-H 4992 250  
substituted aromatic carbon 2471 62  
phenyl 977 52  
* 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 471 109  
any uncharged NH 281 *  
any cationic NH 35 *  
aromatic cationic N-H 11 *  
amide NH 62 42  
uncharged C(sp2)/C(ar)-NH2 57 *  
cationic RNH3   2    
cationic R3NH 1 *  
* 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 1008 281  
alcohol OH 485 51  
phenol OH 171 16  
water 133 214  
* 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 363 26  
cyano 224    
pyramidal R3N 100 *  
uncharged planar R3N 146    
cationic planar R3N 13    
any terminal O 2825 232  
any C=O 2447 232  
amide C=O 129 103  
ester C=O 813    
carboxylate 44 33  
aliphatic ether 131    
linking O in esters 412    
aromatic O 80    
sulfoxide/sulfone O 55    
nitro 246 *  
* 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 341 25  
any C=S 31    
aliphatic thioether 27 16  
aromatic S 45    
* 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 333    
any C-Cl 379    
any C-Br 241    
any C-I 59    
chloride ion 138    
bromide ion 34    
iodide ion 31    
* 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 2    
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 21 32  
imidazole * 38    
guanidinium * 14    
* This search has not been done.



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