Compound 3
  CheckMol                        TMF02:r0:m0
MF=C10H21Br MW=221.18
 11 10  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  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
  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
M  END

2D Structure

1- Bromodecane

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Chemical Name - 1- Bromodecane
Mol Weight - 221.181
Smiles - CCCCCCCCCCBr

Property Name	Property Value
Mol Name	1- Bromodecane
Molweight	221.181
Monoisotopic Mass	220.082661
Clogp	4.9727
Clogs	-3.687
Total Surface Area	168.23
Druglikeness	-40.938
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	1
Molecular Flexibility	0.51034
Molecular Complexity	0.35835
Fragments	1
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	8
Sp3 Atoms	10
Smiles	CCCCCCCCCCBr
InChIKey	InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChI	MYMSJFSOOQERIO-UHFFFAOYSA-N

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1 — 1- Bromodecane | 2 — 1- Bromodecane