Compound 315
  CheckMol                        TMF02:r0:m0
MF=C15H10O MW=206.24
 16 18  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    0.7600   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5767   -1.4724   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8829    0.7837   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8710   -2.2086   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2587   -2.2086   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1772    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8710    2.3036   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1653   -1.4368   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8591   -3.7048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2468   -3.7048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4715    0.8075   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1653    3.0754   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5411   -4.4410   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4596    2.3274   -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
  3  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 01  0  2  0  0
  4  7 02  0  1  0  0
  5  8 01  0  2  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  6 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13 01  0  1  0  0
  9 14 02  0  1  0  0
 11 15 01  0  1  0  0
 13 16 02  0  1  0  0
  8 10 02  0  1  0  0
 12 15 02  0  1  0  0
 14 16 01  0  1  0  0
M  END

2D Structure

Anthracene-9-carbaldehyde

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Chemical Name - Anthracene-9-carbaldehyde
Mol Weight - 206.243
Smiles - O=Cc1c(cccc2)c2cc2ccccc12

Property Name	Property Value
Mol Name	Anthracene-9-carbaldehyde
Molweight	206.243
Monoisotopic Mass	206.073165
Clogp	3.9817
Clogs	-5.152
H Acceptors	1
Total Surface Area	162
Relative Psa	0.080494
Polar Surface Area	17.07
Druglikeness	-4.225
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.5
Molecular Flexibility	0.13612
Molecular Complexity	0.68629
Fragments	1
Non H Atoms	16
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Symmetric Atoms	6
Smiles	O=Cc1c(cccc2)c2cc2ccccc12
InChIKey	InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChI	YMNKUHIVVMFOFO-UHFFFAOYSA-N

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