Compound 98
  CheckMol                        TMF02:r0:m0
MF=C10H8 MW=128.17
 10 11  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8927    1.2215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4800   -0.0587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8927   -1.1981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5051    2.6780   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3256    0.7752   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4548    1.0806   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3256   -0.7282   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.8574    3.2770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1729    2.5605   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  2  0  0
  1  3 01  0  1  0  0
  1  4 02  0  1  0  0
  2  5 02  0  1  0  0
  2  6 01  0  1  0  0
  3  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  7 10 01  0  1  0  0
  6  8 02  0  1  0  0
  9 10 02  0  1  0  0
M  END

2D Structure

Cyclopentacycloheptene

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Chemical Name - Cyclopentacycloheptene
Mol Weight - 128.174
Smiles - C1=CC2=CC=CC=CC2=C1

Property Name	Property Value
Mol Name	Cyclopentacycloheptene
Molweight	128.174
Monoisotopic Mass	128.0626
Clogp	1.9462
Clogs	-1.884
Total Surface Area	115.42
Druglikeness	0.22742
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.11612
Molecular Complexity	0.65162
Fragments	1
Non H Atoms	10
Rings Closures	2
Small Rings	2
Smiles	C1=CC2=CC=CC=CC2=C1
InChIKey	InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChI	CUFNKYGDVFVPHO-UHFFFAOYSA-N

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