KEGG   COMPOUND: C14040Help
Entry
C14040                      Compound                               

Name
1-Nitronaphthalene
Formula
C10H7NO2
Exact mass
173.0477
Mol weight
173.1681
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Metabolism of xenobiotics by cytochrome P450
Enzyme
1.14.13.-       1.14.14.1
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14040  1-Nitronaphthalene
BRITE hierarchy
Other DBs
CAS: 
86-57-7
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8x C    26.4132  -17.2899
            2   C8x C    26.4132  -18.6899
            3   C8x C    27.6257  -19.3899
            4   C8y C    28.8381  -18.6899
            5   C8y C    28.8381  -17.2899
            6   C8y C    27.6257  -16.5899
            7   C8x C    30.0505  -19.3899
            8   C8x C    31.2630  -18.6899
            9   C8x C    31.2630  -17.2899
            10  C8x C    30.0505  -16.5899
            11  N2b N    27.6257  -15.1899 #+
            12  O3a O    29.1888  -14.2095 #-
            13  O3a O    26.4139  -14.4903
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13   11  12 1
            14   11  13 2

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