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Compound 72
  CheckMol                        TMF02:r0:m0
MF=C10H12O4 MW=196.20
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4917   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -2.2376   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786   -2.2376   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691   -1.4799   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8596   -2.2139   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5572    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.4444   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8477    0.8051   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4405   -2.1784   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1382    0.0710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7309   -1.4089   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4286    0.8406   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4168    2.3560   -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 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

Homoveratric Acid

₹ 0.00 0.00

Chemical Name - Homoveratric Acid
Mol Weight - 196.201
Smiles -

Property Name	Property Value
Mol Name	Homoveratric Acid
Molweight	196.201
Monoisotopic Mass	196.07356
Clogp	1.0028
Clogs	-1.63
H Acceptors	4
H Donors	1
Total Surface Area	155.64
Relative Psa	0.29645
Polar Surface Area	55.76
Druglikeness	-1.4675
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.48924
Molecular Complexity	0.626
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Acidic Oxygens	1
Smiles

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Homoveratric Acid