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Compound 9
  CheckMol                        TMF02:r0:m0
MF=C13H9ClO MW=216.67
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049    0.7524   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3167    2.2572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6098    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6216    3.0095   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9148    0.7759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9265    2.2807   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2314    3.0331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2432    4.5378   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364    2.3042   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8413    3.0683   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5481    0.8229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1462    2.3394   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8530    0.0940   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1579    0.8582   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
  6  7 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

(4-Chlorobenzophenone)

₹ 0.00 0.00

Chemical Name - (4-Chlorobenzophenone)
Mol Weight - 216.666
Smiles - O=C(c1ccccc1)c(cc1)ccc1Cl

Property Name	Property Value
Mol Name	(4-Chlorobenzophenone)
Molweight	216.666
Monoisotopic Mass	216.034192
Clogp	3.3956
Clogs	-4.452
H Acceptors	1
Total Surface Area	166.19
Relative Psa	0.078464
Polar Surface Area	17.07
Druglikeness	-0.9853
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.47954
Molecular Complexity	0.60895
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	4
Smiles	O=C(c1ccccc1)c(cc1)ccc1Cl
InChIKey	InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChI	UGVRJVHOJNYEHR-UHFFFAOYSA-N

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(4-Chlorobenzophenone)