Chem 25 Dichloro 4 Nitroaniline

Compound 5
  CheckMol                        TMF02:r0:m0
MF=C6H4Cl2N2O2 MW=207.02
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4924   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3265   -2.2385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.2385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6412   -1.4805   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384   -3.7309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2673   -3.7309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6531    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559   -2.2267   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4652   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5583   -4.4771   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592   -5.9576   -0.0000 Cl  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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 10 01  0  1  0  0
M  CHG  1   5   1
M  CHG  1   9  -1
M  END

2,5-Dichloro-4-nitroaniline

₹ 0.00 0.00

Chemical Name - 2,5-Dichloro-4-nitroaniline
Mol Weight - 207.016
Smiles - Nc(c(Cl)c1)cc(Cl)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	2,5-Dichloro-4-nitroaniline
Molweight	207.016
Monoisotopic Mass	205.964982
Clogp	1.2727
Clogs	-3.624
H Acceptors	4
H Donors	1
Total Surface Area	136.29
Relative Psa	0.33524
Polar Surface Area	71.84
Druglikeness	-7.0299
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.58333
Molecular Flexibility	0.38263
Molecular Complexity	0.71278
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
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(c(Cl)c1)cc(Cl)c1[N+]([O-])=O

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2,5-Dichloro-4-nitroaniline