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Compound 6
  CheckMol                        TMF02:r0:m0
MF=C24H38O4 MW=390.56
 28 28  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097    0.7670   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3215    2.2773   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6195    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313   -1.4513   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9292    0.8024   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5428   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451   -2.1947   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9410   -2.1829   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2389    0.0708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2389    5.3097   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    5.3097   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -3.6814   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590   -1.4395   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2507   -1.4277   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2271    6.8200   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3687    6.8200   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2271   -2.1829   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    7.5752   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133   -1.4277   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015    9.0855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7994   -2.1711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015    0.0826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0855   -1.4159   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.8378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3717   -2.1593   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578   -1.4041   -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 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16 02  0  1  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 11 16 01  0  1  0  0
M  END

DOP

₹ 0.00 0.00

Chemical Name - DOP
Mol Weight - 390.562
Smiles - CCCCC(CC)COC(c(cccc1)c1C(OCC(CC)CCCC)=O)=O

Property Name	Property Value
Mol Name	DOP
Molweight	390.562
Monoisotopic Mass	390.27701
Clogp	7.2788
Clogs	-5.518
H Acceptors	4
Total Surface Area	340.4
Relative Psa	0.13537
Polar Surface Area	52.6
Druglikeness	-5.6614
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Shape Index	0.64286
Molecular Flexibility	0.61567
Molecular Complexity	0.73284
Fragments	1
Non H Atoms	28
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	2
Rotatable Bonds	16
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	18
Symmetric Atoms	14
Smiles	CCCCC(CC)COC(c(cccc1)c1C(OCC(CC)CCCC)=O)=O
InChIKey
InChI	C24H38O4

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DOP