Chem Ethylene Brassylate Karoma

Compound 35
  CheckMol                        TMF02:r0:m0
MF=C15H26O4 MW=270.37
 19 19  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905    0.7696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614   -0.3552   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    2.2022   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5756   -1.0537   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169    3.7177   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556   -1.2313   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971    5.1148   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.8525   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    6.2040   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7195    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769    6.8434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7851   -1.0064   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364    1.2905   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2687    6.9499   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443    2.7705   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6894    6.5000   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075    4.2741   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497    5.5647   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  1  0  0
  6  8  1  0  1  0  0
  7  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  2  0  0  0  0
 11 14  1  0  1  0  0
 12 15  1  0  1  0  0
 14 16  1  0  1  0  0
 15 17  1  0  1  0  0
 16 18  1  0  1  0  0
 17 19  1  0  1  0  0
 18 19  1  0  1  0  0
M  END

Ethylene Brassylate

₹ 0.00 0.00

Chemical Name - Ethylene Brassylate
Mol Weight - 270.367
Smiles - O=C(CCCCCCCCCCC1)OCCOC1=O

Property Name	Property Value
Mol Name	Ethylene Brassylate
Molweight	270.367
Monoisotopic Mass	270.18311
Clogp	4.1142
Clogs	-3.306
H Acceptors	4
Total Surface Area	234.38
Relative Psa	0.1966
Polar Surface Area	52.6
Druglikeness	-20.649
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52632
Molecular Flexibility	0.33568
Molecular Complexity	0.49057
Fragments	1
Non H Atoms	19
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	1
Sp3 Atoms	15
Symmetric Atoms	9
Smiles	O=C(CCCCCCCCCCC1)OCCOC1=O
InChIKey	InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChI	XRHCAGNSDHCHFJ-UHFFFAOYSA-N

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Ethylene Brassylate