Compound 46
  CheckMol                        TMF02:r0:m0
MF=C6H10O4 MW=146.14
 10  9  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   -1.4967   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -2.2450   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -2.2450   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776   -1.4848   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8723   -2.2331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1670   -1.4729   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4618   -2.2212   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7565   -1.4610   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499   -3.7179   -0.0000 O   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  2  0  0  0  0
  8 10  1  0  0  0  0
M  END

2D Structure

Adipic Acid

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Chemical Name - Adipic Acid
Mol Weight - 146.141
Smiles - OC(CCCCC(O)=O)=O

Property Name	Property Value
Mol Name	Adipic Acid
Molweight	146.141
Monoisotopic Mass	146.05791
Clogp	0.2422
Clogs	-1.014
H Acceptors	4
H Donors	2
Total Surface Area	116.74
Relative Psa	0.44783
Polar Surface Area	74.6
Druglikeness	-12.805
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.8
Molecular Flexibility	0.66399
Molecular Complexity	0.51986
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	5
Sp3 Atoms	6
Symmetric Atoms	5
Acidic Oxygens	2
Smiles	OC(CCCCC(O)=O)=O
InChIKey	InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI	WNLRTRBMVRJNCN-UHFFFAOYSA-N

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1 — Adipic Acid | 2 — Adipic Acid