Chem 561112 Tetrahydrodibenzoaecyclooctene Dsrpl

Compound 314
  CheckMol                        TMF02:r0:m0
MF=C16H16 MW=208.30
 16 18  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2876   -0.7324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3112   -0.7324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4016    1.4648   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758   -2.2208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.7288   -0.3308   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230   -2.2208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.3308    2.7760   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9650   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4730    0.9805   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7719    3.1776   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0713    2.4453   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.7601    4.6897   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3589    3.2013   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0477    5.4575   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3471    4.7133   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  2  0  0
  1  3 01  0  1  0  0
  1  4  1  0  1  0  0
  2  5 01  0  1  0  0
  2  6  1  0  1  0  0
  3  7 02  0  1  0  0
  4  8  1  0  1  0  0
  5  9 02  0  1  0  0
  6 10  1  0  1  0  0
  8 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 02  0  1  0  0
 14 16 02  0  1  0  0
  7  9 01  0  1  0  0
 11 12 02  0  2  0  0
 15 16 01  0  1  0  0
M  END

5,6,11,12-Tetrahydrodibenzo[a,e]cyclooctene

₹ 0.00 0.00

Chemical Name - 5,6,11,12-Tetrahydrodibenzo[a,e]cyclooctene
Mol Weight - 208.303
Smiles - C(Cc1c(CC2)cccc1)c1c2cccc1

Property Name	Property Value
Mol Name	5,6,11,12-Tetrahydrodibenzo[a,e]cyclooctene
Molweight	208.303
Monoisotopic Mass	208.1252
Clogp	4.4028
Clogs	-3.806
Total Surface Area	174.56
Druglikeness	-3.4202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.21281
Molecular Complexity	0.64441
Fragments	1
Non H Atoms	16
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	12
Smiles	C(Cc1c(CC2)cccc1)c1c2cccc1
InChIKey	InChI=1S/C16H16/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-8H,9-12H2
InChI	PCQPMHABIFETBJ-UHFFFAOYSA-N

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5,6,11,12-Tetrahydrodibenzo[a,e]cyclooctene