Compound 24
  CheckMol                        TMF02:r0:m0
MF=C6H5NO3 MW=139.11
 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
   -6.5271    0.8232   -0.0000 O   0  0  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
  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  1  0  0  0  0
  7 10 02  0  1  0  0
  8 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

2D Structure

3-Nitrophenol

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Chemical Name - 3-Nitrophenol
Mol Weight - 139.11
Smiles - [O-][N+](c1cc(O)ccc1)=O

Property Name	Property Value
Mol Name	3-Nitrophenol
Molweight	139.11
Monoisotopic Mass	139.026944
Clogp	0.3923
Clogs	-1.78
H Acceptors	4
H Donors	1
Total Surface Area	103.28
Relative Psa	0.42138
Polar Surface Area	66.05
Druglikeness	-7.5665
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.3819
Molecular Complexity	0.61821
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	[O-][N+](c1cc(O)ccc1)=O
InChIKey	InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
InChI	RTZZCYNQPHTPPL-UHFFFAOYSA-N

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