Compound 136
  CheckMol                        TMF02:r0:m0
MF=C14H10O MW=194.23
 15 17  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893    0.7570   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2774    2.2710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8678    0.7688   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.4785   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5667    3.0280   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355    3.0280   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1571    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8560    2.2828   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8560   -2.2237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5549    4.5420   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5420   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1453   -1.4667   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2420    5.2990   -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  1  0  0
  2  4  1  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7 02  0  2  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  5 10  1  0  1  0  0
  6 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
  9 14 02  0  1  0  0
 12 15 02  0  1  0  0
  7 10  1  0  1  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
M  END

2D Structure

Anthrone

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Chemical Name - Anthrone
Mol Weight - 194.232
Smiles - O=C(c1c(C2)cccc1)c1c2cccc1

Property Name	Property Value
Mol Name	Anthrone
Molweight	194.232
Monoisotopic Mass	194.073165
Clogp	3.5354
Clogs	-4.341
H Acceptors	1
Total Surface Area	151.03
Relative Psa	0.08634
Polar Surface Area	17.07
Druglikeness	-1.2328
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53333
Molecular Flexibility	0.15696
Molecular Complexity	0.72141
Fragments	1
Non H Atoms	15
Non Ch Atoms	1
Electronegative Atoms	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	6
Smiles	O=C(c1c(C2)cccc1)c1c2cccc1
InChIKey	InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
InChI	RJGDLRCDCYRQOQ-UHFFFAOYSA-N

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1 — Anthrone | 2 — Anthrone