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Compound 10
  CheckMol                        TMF02:r0:m0
MF=C12H20O7 MW=276.29
 19 18  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    0.7651   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6132    0.0235   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    2.2719   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199    0.7887   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302    3.7786   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    1.5303   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.5303   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2265    0.0589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478    2.2836   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9316    2.2836   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360    3.7904   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    1.5421   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9434    3.7904   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2383    1.5421   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139    2.2954   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5449    2.2954   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970    1.5538   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8515    1.5538   -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  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END

Tri Ethyl Citrate

₹ 0.00 0.00

Chemical Name - Tri Ethyl Citrate
Mol Weight - 276.284
Smiles - CCOC(CC(CC(OCC)=O)(C(OCC)=O)O)=O

Property Name	Property Value
Mol Name	Tri Ethyl Citrate
Molweight	276.284
Monoisotopic Mass	276.120905
Clogp	0.3729
Clogs	-1.213
H Acceptors	7
H Donors	1
Total Surface Area	219.09
Relative Psa	0.37528
Polar Surface Area	99.13
Druglikeness	-9.3086
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57895
Molecular Flexibility	0.77094
Molecular Complexity	0.62239
Non H Atoms	19
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	11
Sp3 Atoms	13
Symmetric Atoms	6
Smiles	CCOC(CC(CC(OCC)=O)(C(OCC)=O)O)=O

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Tri Ethyl Citrate