Compound 119
  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
   -1.3050    0.7524   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167    2.2573   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6100    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9150    0.7877   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6217   -1.4578   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2199    0.0588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9267    2.2925   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9267   -2.1867   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2317   -1.4226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2317    3.0567   -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
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  8 11  2  0  0  0  0
  9 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

2D Structure

Ortho Nitro Benzaldehyde

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Chemical Name - Ortho Nitro Benzaldehyde
Mol Weight - 151.121
Smiles - [O-][N+](c1c(C=O)cccc1)=O

Property Name	Property Value
Mol Name	Ortho 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	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Shape Index	0.54545
Molecular Flexibility	0.46936
Molecular Complexity	0.70527
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+](c1c(C=O)cccc1)=O
InChIKey	InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
InChI	CMWKITSNTDAEDT-UHFFFAOYSA-N

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1 — Ortho Nitro Benzaldehyde | 2 — Ortho Nitro Benzaldehyde