Chem 3 Chloro Propiophenone Clarion

Compound 9
  CheckMol                        TMF02:r0:m0
MF=C9H9ClO MW=168.62
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063    0.7532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9188    0.7767   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9305    2.2830   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250    0.0471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5313    0.8120   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2368   -1.4357   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8375    0.0824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5430   -2.1653   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8493   -1.4004   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 11 01  0  1  0  0
M  END

3-Chloro Propiophenone

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Chemical Name - 3-Chloro Propiophenone
Mol Weight - 168.622
Smiles - O=C(CCCl)c1ccccc1

Property Name	Property Value
Mol Name	3-Chloro Propiophenone
Molweight	168.622
Monoisotopic Mass	168.034192
Clogp	2.2145
Clogs	-2.971
H Acceptors	1
Total Surface Area	133.95
Relative Psa	0.09735
Polar Surface Area	17.07
Druglikeness	-2.8388
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.52941
Molecular Complexity	0.57807
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Smiles	O=C(CCCl)c1ccccc1
InChIKey	InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI	KTJRGPZVSKWRTJ-UHFFFAOYSA-N

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3-Chloro Propiophenone