Compound 6
  CheckMol                        TMF02:r0:m0
MF=C12H18O2 MW=194.27
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2847   -2.2482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3323   -2.2363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2728   -3.7471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5813   -1.4869   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442   -3.7352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5694   -4.4965   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0476   -4.4846   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8779   -2.2244   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745   -1.4631   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4711   -2.2007   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7677   -1.4393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0643   -2.1769   -0.0000 C   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 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  5  9 02  0  1  0  0
  6 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
  7  9 01  0  1  0  0
M  END

2D Structure

HEXYL RESORCINOL

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Chemical Name - HEXYL RESORCINOL
Mol Weight - 194.273
Smiles - CCCCCCc(c(O)ccc1)c1O

Property Name	Property Value
Mol Name	HEXYL RESORCINOL
Molweight	194.273
Monoisotopic Mass	194.13068
Clogp	3.5453
Clogs	-2.607
H Acceptors	2
H Donors	2
Total Surface Area	167.02
Relative Psa	0.15687
Polar Surface Area	40.46
Druglikeness	-17.321
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.48449
Molecular Complexity	0.58006
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Symmetric Atoms	3
Smiles	CCCCCCc(c(O)ccc1)c1O

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