Chem 4 Chlorobenzhydryl Chloride

Compound 129
  CheckMol                        TMF02:r0:m0
MF=C13H10Cl2 MW=237.13
 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
   -1.3043    0.7520   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3160    2.2560   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6086    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6203    3.0081   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9128    0.7755   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9246    2.2678   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2289    3.0198   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5331    2.2913   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2406    4.5238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9598    5.2759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5449    5.2759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9716    6.7799   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5566    6.7799   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2759    7.5319   -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  1  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-Chlorobenzhydryl chloride

₹ 0.00 0.00

Chemical Name - 4-Chlorobenzhydryl chloride
Mol Weight - 237.128
Smiles - ClC(c1ccccc1)c(cc1)ccc1Cl

Property Name	Property Value
Mol Name	4-Chlorobenzhydryl chloride
Molweight	237.128
Monoisotopic Mass	236.015954
Clogp	4.1608
Clogs	-5.901
Total Surface Area	176.36
Druglikeness	-1.5525
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.41085
Molecular Complexity	0.60895
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	4
Smiles	ClC(c1ccccc1)c(cc1)ccc1Cl
InChIKey	InChI=1S/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H
InChI	ALKWTKGPKKAZMN-UHFFFAOYSA-N

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4-Chlorobenzhydryl chloride