Chem Cetyl Alcohol Molychem

Compound 336
  CheckMol                        TMF02:r0:m0
MF=C16H34O MW=242.44
 17 16  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979    0.7622   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    0.0206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    0.7828   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1915    0.0412   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4894    0.8035   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7873    0.0618   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    0.8241   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3831    0.0824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6809    0.8447   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9788    0.1030   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2767    0.8653   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5746    0.1236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8725    0.8859   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1703    0.1442   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4682    0.9065   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7661    0.1648   -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

Cetyl Alcohol

₹ 0.00 0.00

Chemical Name - Cetyl Alcohol
Mol Weight - 242.445
Smiles - CCCCCCCCCCCCCCCCO

Property Name	Property Value
Mol Name	Cetyl Alcohol
Molweight	242.445
Monoisotopic Mass	242.260965
Clogp	6.4121
Clogs	-4.257
H Acceptors	1
H Donors	1
Total Surface Area	238.51
Relative Psa	0.054924
Polar Surface Area	20.23
Druglikeness	-32.166
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	1
Molecular Flexibility	0.50927
Molecular Complexity	0.32894
Fragments	1
Non H Atoms	17
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	14
Sp3 Atoms	17
Smiles	CCCCCCCCCCCCCCCCO
InChIKey	InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChI	BXWNKGSJHAJOGX-UHFFFAOYSA-N

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Cetyl Alcohol