Compound 8
  CheckMol                        TMF02:r0:m0
MF=C11H8O2 MW=172.18
 13 14  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   -1.4942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282   -2.2413   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -2.2413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5733   -1.4823   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2689   -3.7355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8659   -2.2294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5615    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5615   -4.4826   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8541   -3.7236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1585   -1.4586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8541    0.7945   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1467    0.0593   -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  2  0  0
  5  8 02  0  1  0  0
  6  9 01  0  1  0  0
  7 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 01  0  1  0  0
 11 13 01  0  1  0  0
  9 10 02  0  1  0  0
 12 13 02  0  1  0  0
M  END

2D Structure

1 Naphthoic Acid

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Chemical Name - 1 Naphthoic Acid
Mol Weight - 172.183
Smiles - OC(c1cccc2ccccc12)=O

Property Name	Property Value
Mol Name	1 Naphthoic Acid
Molweight	172.183
Monoisotopic Mass	172.05243
Clogp	2.3391
Clogs	-3.235
H Acceptors	2
H Donors	1
Total Surface Area	131.96
Relative Psa	0.19809
Polar Surface Area	37.3
Druglikeness	-1.8442
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.19592
Molecular Complexity	0.63799
Fragments	1
Non H Atoms	13
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Acidic Oxygens	1
Smiles	OC(c1cccc2ccccc12)=O

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1 — 1 Naphthoic Acid | 2 — 1 Naphthoic Acid