Chem 25 Dichloronitrobenzene

Compound 27
  CheckMol                        TMF02:r0:m0
MF=C6H3Cl2NO2 MW=192.00
 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
   -0.0118   -1.4921   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3263   -2.2381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2789   -2.2263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6408   -1.4802   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3381   -3.7302   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2671   -3.7184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6526    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552   -2.2144   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0592   -5.9565   -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
 10 11  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 Dichloronitrobenzene

₹ 0.00 0.00

Chemical Name - 2,5 Dichloronitrobenzene
Mol Weight - 192.001
Smiles - [O-][N+](c(cc(cc1)Cl)c1Cl)=O

Property Name	Property Value
Mol Name	2,5 Dichloronitrobenzene
Molweight	192.001
Monoisotopic Mass	190.954083
Clogp	1.95
Clogs	-3.548
H Acceptors	3
Total Surface Area	127.77
Relative Psa	0.23808
Polar Surface Area	45.82
Druglikeness	-7.4592
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.73271
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
Acidic Oxygens	1
Smiles	[O-][N+](c(cc(cc1)Cl)c1Cl)=O
InChIKey	InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI	RZKKOBGFCAHLCZ-UHFFFAOYSA-N

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2,5 Dichloronitrobenzene