Chem Benzofuran 2 Carboxylic Acid

Compound 63
  CheckMol                        TMF02:r0:m0
MF=C9H6O3 MW=162.14
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.2460   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2834   -2.2460   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6501   -1.6162   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    1.4260   -3.7315   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6483   -2.7214   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8878   -4.0286   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1457   -2.7095   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6364   -5.3239   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.8943   -4.0048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1338   -5.3120   -0.0000 C   0 00  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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
  7  8 02  0  2  0  0
 11 12 01  0  1  0  0
M  END

Benzofuran 2 Carboxylic Acid

₹ 0.00 0.00

Chemical Name - Benzofuran 2 Carboxylic Acid
Mol Weight - 162.144
Smiles -

Property Name	Property Value
Mol Name	Benzofuran 2 Carboxylic Acid
Molweight	162.144
Monoisotopic Mass	162.031695
Clogp	1.6503
Clogs	-2.812
H Acceptors	3
H Donors	1
Total Surface Area	121.65
Relative Psa	0.33087
Polar Surface Area	50.44
Druglikeness	-1.0006
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.2014
Molecular Complexity	0.71278
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Acidic Oxygens	1
Smiles

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1 - Benzofuran 2 Carboxylic Acid
2 - Benzofuran 2 Carboxylic Acid

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Benzofuran 2 Carboxylic Acid