Compound 135
  CheckMol                        TMF02:r0:m0
MF=C16H33I MW=352.34
 17 16  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    0.7533   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059    0.0204   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9089    0.7736   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2119    0.0407   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5148    0.7940   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8178    0.0611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1208    0.8144   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4237    0.0814   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7267    0.8347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0297    0.1018   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3326    0.8551   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6356    0.1222   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9386    0.8754   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2416    0.1425   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5445    0.8958   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8475    0.1629   -0.0000 C   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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

2D Structure

1-Iodohexadecane

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Chemical Name - 1-Iodohexadecane
Mol Weight - 352.338
Smiles - CCCCCCCCCCCCCCCCI

Property Name	Property Value
Mol Name	1-Iodohexadecane
Molweight	352.338
Monoisotopic Mass	352.162698
Clogp	7.9515
Clogs	-4.888
Total Surface Area	258.44
Druglikeness	-24.281
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	1
Molecular Flexibility	0.50929
Molecular Complexity	0.32894
Fragments	1
Non H Atoms	17
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	14
Sp3 Atoms	16
Smiles	CCCCCCCCCCCCCCCCI
InChIKey	InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChI	KMWHQYDMBYABKL-UHFFFAOYSA-N

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1 — 1-Iodohexadecane | 2 — 1-Iodohexadecane