Chem 4 Nitro 2 Picoline N Oxide AlkaliMetal

Compound 235
  CheckMol                        TMF02:r0:m0
MF=C6H6N2O3 MW=154.13
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058    0.7529   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176    2.2587   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6116    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9174    0.7882   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6233   -1.4587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2232    0.0588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9291   -2.1881   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2349   -1.4234   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5289    0.8235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5407   -2.1528   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  CHG  1   9   1
M  CHG  1  11  -1
M  END

4-Nitro-2-Picoline-N-Oxide

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Chemical Name - 4-Nitro-2-Picoline-N-Oxide
Mol Weight - 154.125
Smiles - Cc(cc(cc1)[N+]([O-])=O)[n+]1[O-]

Property Name	Property Value
Mol Name	4-Nitro-2-Picoline-N-Oxide
Molweight	154.125
Monoisotopic Mass	154.037843
Clogp	-0.3405
Clogs	-4.033
H Acceptors	5
Total Surface Area	111.24
Relative Psa	0.40165
Polar Surface Area	71.28
Druglikeness	-7.6962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.68024
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Aromatic Nitrogens	1
Acidic Oxygens	2
Smiles	Cc(cc(cc1)[N+]([O-])=O)[n+]1[O-]
InChIKey	InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3
InChI	FTTIAVRPJGCXAC-UHFFFAOYSA-N

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4-Nitro-2-Picoline-N-Oxide