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Compound 6
  CheckMol                        TMF02:r0:m0
MF=C19H34O3 MW=310.48
 22 21  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4905   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248   -2.2357   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775   -2.2357   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379   -1.4786   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5669   -1.4786   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6497    0.0355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509   -2.2238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562   -2.2238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    0.0355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1456   -1.4668   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4350   -2.2120   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243   -1.4550   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0137   -2.2002   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125    0.0591   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3030   -1.4431   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5924   -2.1884   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8818   -1.4313   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1711   -2.1765   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6270   -0.1183   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   -0.1183   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4605   -1.4195   -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  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  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
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END

S-Methoprene

₹ 0.00 0.00

Chemical Name - S-Methoprene
Mol Weight - 310.476
Smiles - CC(C)OC(/C=C(C)/C=C/CC(C)CCCC(C)(C)OC)=O

Property Name	Property Value
Mol Name	S-Methoprene
Molweight	310.476
Monoisotopic Mass	310.250795
Clogp	5.5454
Clogs	-3.631
H Acceptors	3
Total Surface Area	278.73
Relative Psa	0.11854
Polar Surface Area	35.53
Druglikeness	-15.321
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.72727
Molecular Flexibility	0.61915
Molecular Complexity	0.53395
Fragments	1
Non H Atoms	22
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	11
Sp3 Atoms	16
Symmetric Atoms	2
Smiles	CC(C)OC(/C=C(C)/C=C/CC(C)CCCC(C)(C)OC)=O
InChIKey	InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3
InChI	NFGXHKASABOEEW-UHFFFAOYSA-N

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S-Methoprene