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Compound 48
  CheckMol                        TMF02:r0:m0
MF=C11H22O2 MW=186.29
 13 12  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4969   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306   -2.2454   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -2.2454   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780   -1.4850   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730   -2.2335   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679   -1.4731   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4629   -2.2216   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578   -1.4613   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0527   -2.2097   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3477   -1.4494   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6426   -2.1978   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9376   -1.4375   -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
  4  5  1  0  0  0  0
  5  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
M  END

Undecanoic Acid

₹ 0.00 0.00

Chemical Name - Undecanoic Acid
Mol Weight - 186.294
Smiles - CCCCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Undecanoic Acid
Molweight	186.294
Monoisotopic Mass	186.16198
Clogp	3.7905
Clogs	-2.889
H Acceptors	2
H Donors	1
Total Surface Area	173.7
Relative Psa	0.15049
Polar Surface Area	37.3
Druglikeness	-25.216
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.92308
Molecular Flexibility	0.54518
Molecular Complexity	0.34657
Fragments	1
Non H Atoms	13
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	9
Sp3 Atoms	11
Acidic Oxygens	1
Smiles	CCCCCCCCCCC(O)=O
InChIKey
InChI	C11H22O2

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Undecanoic Acid