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Compound 35
  CheckMol                        TMF02:r0:m0
MF=C7H5NO3 MW=151.12
 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 C   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
   -7.8347    0.0941   -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
 10 11  2  0  0  0  0
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

3-NITRO BENZALDEHYDE

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Chemical Name - 3-NITRO BENZALDEHYDE
Mol Weight - 151.121
Smiles - [O-][N+](c1cc(C=O)ccc1)=O

Property Name	Property Value
Mol Name	3-NITRO BENZALDEHYDE
Molweight	151.121
Monoisotopic Mass	151.026944
Clogp	0.6713
Clogs	-2.4
H Acceptors	4
Total Surface Area	116.47
Relative Psa	0.37314
Polar Surface Area	62.89
Druglikeness	-9.491
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.63636
Molecular Flexibility	0.46936
Molecular Complexity	0.65917
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Acidic Oxygens	1
Smiles	[O-][N+](c1cc(C=O)ccc1)=O
InChIKey

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3-NITRO BENZALDEHYDE