Compound 44
  CheckMol                        TMF02:r0:m0
MF=C8H9NO MW=135.17
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    0.7602   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2829    2.2806   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    0.7840   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5776   -1.4848   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1789    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8723   -2.2212   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1670   -1.4610   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4618   -2.2094   -0.0000 N   0  0  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
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2D Structure

p-Aminoacetophenone

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Chemical Name - p-Aminoacetophenone
Mol Weight - 135.165
Smiles - CC(c(cc1)ccc1N)=O

Property Name	Property Value
Mol Name	p-Aminoacetophenone
Molweight	135.165
Monoisotopic Mass	135.068414
Clogp	0.8535
Clogs	-2.376
H Acceptors	2
H Donors	1
Total Surface Area	111.79
Relative Psa	0.25324
Polar Surface Area	43.09
Druglikeness	-1.6316
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.3819
Molecular Complexity	0.57807
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	CC(c(cc1)ccc1N)=O
InChIKey	InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChI	GPRYKVSEZCQIHD-UHFFFAOYSA-N

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