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Compound 31
  CheckMol                        TMF02:r0:m0
MF=C18H34O2 MW=282.47
 20 19  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   -1.5013   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -2.2401   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2869   -2.2401   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857   -1.4775   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8844   -2.2163   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832   -1.4537   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4820   -2.1924   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7808   -1.4299   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0796   -2.1686   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3784   -1.4060   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6771   -2.1448   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6652   -3.6461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9640   -4.3849   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9521   -5.8862   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2509   -6.6369   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2390   -8.1382   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5377   -8.8770   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5258  -10.3784   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8246  -11.1171   -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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 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
 19 20  1  0  0  0  0
M  END

Oleic Acid

₹ 0.00 0.00

Chemical Name - Oleic Acid
Mol Weight - 282.466
Smiles - CCCCCCCC/C=CCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Oleic Acid
Molweight	282.466
Monoisotopic Mass	282.25588
Clogp	6.7191
Clogs	-4.551
H Acceptors	2
H Donors	1
Total Surface Area	269
Relative Psa	0.097175
Polar Surface Area	37.3
Druglikeness	-28.971
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.95
Molecular Flexibility	0.62
Molecular Complexity	0.37701
Fragments	1
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	15
Sp3 Atoms	16
Acidic Oxygens	1
Smiles	CCCCCCCC/C=CCCCCCCCC(O)=O
InChIKey
InChI	C18H34O2

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Oleic Acid