Compound 125
  CheckMol                        TMF02:r0:m0
MF=C10H20I2 MW=394.08
 12 11  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.7331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6067    0.0204   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101   -0.7128   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135    0.0407   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5168   -0.6924   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8202    0.0611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1236   -0.6720   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4269    0.0815   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7303   -0.6517   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0337    0.1018   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3370   -0.6313   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END

2D Structure

1,10-Diiododecane

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Chemical Name - 1,10-Diiododecane
Mol Weight - 394.069
Smiles - ICCCCCCCCCCI

Property Name	Property Value
Mol Name	1,10-Diiododecane
Molweight	394.069
Monoisotopic Mass	393.965446
Clogp	5.8378
Clogs	-3.392
Total Surface Area	203.66
Druglikeness	-11.399
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	1
Molecular Flexibility	0.54116
Molecular Complexity	0.38918
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	9
Sp3 Atoms	10
Symmetric Atoms	6
Smiles	ICCCCCCCCCCI
InChIKey	InChI=1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
InChI	CKJCTZAIDVFHCX-UHFFFAOYSA-N

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1 — 1,10-Diiododecane | 2 — 1,10-Diiododecane