Chem Dodecyl Benzene Molychem

Compound 348
  CheckMol                        TMF02:r0:m0
MF=C18H30 MW=246.43
 18 18  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3177    0.7716   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4958   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2940    0.7598   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3296   -2.2318   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5880    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -1.4602   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8820    0.7835   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    0.0475   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700    0.8073   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    0.0712   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0580    0.8310   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3520    0.0950   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6460    0.8547   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9400    0.1187   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2340    0.8785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5279    0.1425   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  1  4  1  0  0  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  7  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
 17 18  1  0  0  0  0
  6  8 01  0  1  0  0
M  END

Dodecyl Benzene

₹ 0.00 0.00

Chemical Name - Dodecyl Benzene
Mol Weight - 246.436
Smiles - CCCCCCCCCCCCc1ccccc1

Property Name	Property Value
Mol Name	Dodecyl Benzene
Molweight	246.436
Monoisotopic Mass	246.23475
Clogp	6.9631
Clogs	-4.819
Total Surface Area	236.88
Druglikeness	-20.398
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.88889
Molecular Flexibility	0.4871
Molecular Complexity	0.44793
Fragments	1
Non H Atoms	18
Rotatable Bonds	11
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	12
Symmetric Atoms	2
Smiles	CCCCCCCCCCCCc1ccccc1
InChIKey	InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChI	KWKXNDCHNDYVRT-UHFFFAOYSA-N

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Dodecyl Benzene