Compound 63
  CheckMol                        TMF02:r0:m0
MF=C7H7NO2 MW=137.14
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.7527   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    2.2580   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6108    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9162    0.7880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6226   -1.4583   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2216    0.0588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9280   -2.1874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2334   -1.4230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5271    0.8232   -0.0000 C   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
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

2D Structure

Meta Nitro Toluene

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Chemical Name - Meta Nitro Toluene
Mol Weight - 137.138
Smiles - Cc1cccc([N+]([O-])=O)c1

Property Name	Property Value
Mol Name	Meta Nitro Toluene
Molweight	137.138
Monoisotopic Mass	137.047679
Clogp	1.0819
Clogs	-2.42
H Acceptors	3
Total Surface Area	109.19
Relative Psa	0.2786
Polar Surface Area	45.82
Druglikeness	-7.6962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.3819
Molecular Complexity	0.61821
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	Cc1cccc([N+]([O-])=O)c1
InChIKey	InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChI	QZYHIOPPLUPUJF-UHFFFAOYSA-N

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