Chem 2 Benzhydryl Sulfinyl Acetic Acid

Compound 51
  CheckMol                        TMF02:r0:m0
MF=C15H14O3S MW=274.33
 19 20  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5154   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905   -0.7340   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142   -0.7340   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2787   -2.2258   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6283    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715   -0.7104   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5691    1.5391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9598   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5691   -2.9717   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6402    1.5391   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9425   -0.7104   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8596    2.2968   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4516   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5573   -4.4634   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1501    1.5628   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2431   -5.1975   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  6 11 01  0  1  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14 01  0  1  0  0
  9 15 02  0  1  0  0
 10 16 01  0  1  0  0
 11 17 02  0  1  0  0
 14 18 02  0  1  0  0
 16 19 02  0  1  0  0
 15 18 01  0  1  0  0
 17 19 01  0  1  0  0
M  END

2 BENZHYDRYL SULFINYL ACETIC ACID

₹ 0.00 0.00

Chemical Name - 2 BENZHYDRYL SULFINYL ACETIC ACID
Mol Weight - 274.339
Smiles - OC(CS(C(c1ccccc1)c1ccccc1)=O)=O

Property Name	Property Value
Mol Name	2 BENZHYDRYL SULFINYL ACETIC ACID
Molweight	274.339
Monoisotopic Mass	274.066365
Clogp	0.7823
Clogs	-3.763
H Acceptors	3
H Donors	1
Total Surface Area	206.1
Relative Psa	0.23707
Polar Surface Area	73.58
Druglikeness	-1.48
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.47368
Molecular Flexibility	0.52471
Molecular Complexity	0.59188
Fragments	1
Non H Atoms	19
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	8
Acidic Oxygens	1
Smiles	OC(CS(C(c1ccccc1)c1ccccc1)=O)=O
InChIKey

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1 - 2 BENZHYDRYL SULFINYL ACETIC ACID
2 - 2 BENZHYDRYL SULFINYL ACETIC ACID

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2 BENZHYDRYL SULFINYL ACETIC ACID