Chem 1 Methyl 5 Chloroimidazole Nitrate

Compound 56
  CheckMol                        TMF02:r0:m0
MF=C4H6ClN3O3 MW=179.56
 11 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -1.3808   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.0417   -1.7349   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.2006   -2.6436   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.1597   -3.2219   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1983   -0.7553   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7789   -3.7766   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.0984   -1.8883   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -1.8765   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -0.5665   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324   -3.1629   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 01  0  1  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5  7 02  0  1  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END

1 Methyl 5 Chloroimidazole Nitrate

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Chemical Name - 1 Methyl 5 Chloroimidazole Nitrate
Mol Weight - 116.551
Smiles -

Property Name	Property Value
Mol Name	1 Methyl 5 Chloroimidazole Nitrate
Molweight	116.551
Monoisotopic Mass	116.014125
Clogp	0.656
Clogs	-0.593
H Acceptors	2
Total Surface Area	88.9
Relative Psa	0.20067
Polar Surface Area	17.82
Druglikeness	2.1755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Complexity	0.76753
Non H Atoms	7
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles

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1 - 1 Methyl 5 Chloroimidazole Nitrate
2 - 1 Methyl 5 Chloroimidazole Nitrate

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1 Methyl 5 Chloroimidazole Nitrate