Chem Para Chloro Ortho Nitro Aniline Sajjan

Compound 23
  CheckMol                        TMF02:r0:m0
MF=C6H5ClN2O2 MW=172.57
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -0.7299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6135    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3185   -2.2132   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9202   -0.7063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6252   -2.9549   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2269    0.0471   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9320   -2.1897   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2387    1.5539   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5336   -0.6946   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2387   -2.9195   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6  8 01  0  1  0  0
M  CHG  1   7   1
M  CHG  1  10  -1
M  END

Para Chloro Ortho Nitro Aniline

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Chemical Name - Para Chloro Ortho Nitro Aniline
Mol Weight - 172.571
Smiles - Nc(ccc(Cl)c1)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	Para Chloro Ortho Nitro Aniline
Molweight	172.571
Monoisotopic Mass	172.003955
Clogp	0.6667
Clogs	-2.888
H Acceptors	4
H Donors	1
Total Surface Area	120.87
Relative Psa	0.37801
Polar Surface Area	71.84
Druglikeness	-7.0299
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.73778
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	1
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	Nc(ccc(Cl)c1)c1[N+]([O-])=O
InChIKey	InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChI	PBGKNXWGYQPUJK-UHFFFAOYSA-N

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Para Chloro Ortho Nitro Aniline