KEGG   COMPOUND: C14701Help
Entry
C14701                      Compound                               

Name
Paraquat;
1,1'-Dimethyl-4,4'-bipyridinium
Formula
C12H14N2
Exact mass
186.1157
Mol weight
186.253
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Bipyridinium herbicides
    C14701  Paraquat
BRITE hierarchy
Other DBs
CAS: 4685-14-7
PubChem: 17395700
ChEBI: 34905
ChEMBL: CHEMBL74469
PDB-CCD: KHJ[PDBj]
NIKKAJI: J913J
KCF data Show

ATOM        14
            1   C8y C    24.8308  -19.9558
            2   C8y C    26.2109  -19.9442
            3   C8x C    24.1350  -21.1839
            4   C8x C    24.1116  -18.7395
            5   C8x C    26.9244  -21.1546
            6   C8x C    26.9010  -18.7278
            7   C8x C    22.7374  -21.1839
            8   C8x C    22.7140  -18.7629
            9   C8x C    28.3279  -21.1546
            10  C8x C    28.3045  -18.7803
            11  N5y N    22.0298  -19.9675 #+
            12  N5y N    29.0179  -19.9266 #+
            13  C1a C    20.6380  -19.9792
            14  C1a C    30.4040  -19.9091
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14    8  11 2
            15   10  12 2

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