Chem 4 Chloro 4 Hydroxy Benzophenone Bcipl

Compound 69
  CheckMol                        TMF02:r0:m0
MF=C13H11ClO2 MW=234.68
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529    1.3059   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    1.3176   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588    0.5765   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7647    2.8118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647    1.3294   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706    3.5647   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3765    2.8353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6823    3.5882   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6941    5.0941   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9882    2.8588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.2941    3.6235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.0000    1.3765   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.6000    2.8941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3058    0.6471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.6117    1.4118   -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
  2  4  1  0  1  0  0
  2  5  1  0  1  0  0
  4  6  2  0  1  0  0
  5  7  1  0  1  0  0
  6  8  1  0  1  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12 02  0  1  0  0
 11 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 02  0  1  0  0
 14 16 02  0  1  0  0
  7  8  2  0  1  0  0
 15 16 01  0  1  0  0
M  END

4-Chloro-4 Hydroxy Benzophenone

₹ 0.00 0.00

Chemical Name - 4-Chloro-4 Hydroxy Benzophenone
Mol Weight - 234.681
Smiles - OC1(C=CC(C(c2ccccc2)=O)=CC1)Cl
InChI - NMXYTAOBIVNSDM-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H11ClO2/c14-13(16)8-6-11(7-9-13)12(15)10-4-2-1-3-5-10/h1-8,16H,9H2

Property Name	Property Value
Mol Name	4-Chloro-4 Hydroxy Benzophenone
Molweight	234.681
Monoisotopic Mass	234.044757
Clogp	2.6481
Clogs	-3.988
H Acceptors	2
H Donors	1
Total Surface Area	174.66
Relative Psa	0.14966
Polar Surface Area	37.3
Druglikeness	1.4665
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Shape Index	0.625
Molecular Flexibility	0.5043
Molecular Complexity	0.68273
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	OC1(C=CC(C(c2ccccc2)=O)=CC1)Cl
InChIKey	InChI=1S/C13H11ClO2/c14-13(16)8-6-11(7-9-13)12(15)10-4-2-1-3-5-10/h1-8,16H,9H2
InChI	NMXYTAOBIVNSDM-UHFFFAOYSA-N

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4-Chloro-4 Hydroxy Benzophenone