Chem Myristyldimethylamineoxide Dsrpl

Compound 349
  CheckMol                        TMF02:r0:m0
MF=C16H35NO MW=257.46
 18 17  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416   -1.2978   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0393   -0.5356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832   -2.5955   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768   -2.0393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3371   -1.2772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348   -0.5150   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9326   -1.2566   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2304   -0.4944   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5281   -1.2360   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259   -0.4738   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236   -1.2154   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4214   -0.4532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7192   -1.1948   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0169   -0.4326   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3147   -1.1742   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6124   -0.4120   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9102   -1.1536   -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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  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
 17 18  1  0  0  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Myristyldimethylamineoxide

₹ 0.00 0.00

Chemical Name - Myristyldimethylamineoxide
Mol Weight - 257.46
Smiles - CCCCCCCCCCCCCC[N+](C)(C)[O-]

Property Name	Property Value
Mol Name	Myristyldimethylamineoxide
Molweight	257.46
Monoisotopic Mass	257.271864
Clogp	4.8379
Clogs	-1.178
H Acceptors	2
Total Surface Area	241.33
Relative Psa	0.022459
Polar Surface Area	17.07
Druglikeness	-34.829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.88889
Molecular Flexibility	0.5633
Molecular Complexity	0.36642
Fragments	1
Non H Atoms	18
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	13
Sp3 Atoms	18
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	CCCCCCCCCCCCCC[N+](C)(C)[O-]
InChIKey	InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3
InChI	ONHFWHCMZAJCFB-UHFFFAOYSA-N

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Myristyldimethylamineoxide