Chem 2 Diphenyl Methyl Thio Acetic Acid

Compound 50
  CheckMol                        TMF02:r0:m0
MF=C15H14O2S MW=258.33
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912   -0.7344   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -0.7344   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.2270   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6298    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736   -0.7107   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5705    1.5400   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9615   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5705   -2.9733   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6416    1.5400   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447   -0.7107   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1648    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8617    2.2981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5587   -4.4659   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1529    1.5636   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2438   -5.2003   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  5 10 01  0  1  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13 01  0  1  0  0
  8 14 02  0  1  0  0
  9 15 01  0  1  0  0
 10 16 02  0  1  0  0
 13 17 02  0  1  0  0
 15 18 02  0  1  0  0
 14 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

2- [(DIPHENYL METHYL) THIO] ACETIC ACID

₹ 0.00 0.00

Chemical Name - 2- [(DIPHENYL METHYL) THIO] ACETIC ACID
Mol Weight - 258.34
Smiles - OC(CSC(c1ccccc1)c1ccccc1)=O

Property Name	Property Value
Mol Name	2- [(DIPHENYL METHYL) THIO] ACETIC ACID
Molweight	258.34
Monoisotopic Mass	258.07145
Clogp	2.6954
Clogs	-4.846
H Acceptors	2
H Donors	1
Total Surface Area	200.87
Relative Psa	0.21721
Polar Surface Area	62.6
Druglikeness	0.89481
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.52911
Molecular Complexity	0.53731
Fragments	1
Non H Atoms	18
Non Ch Atoms	3
Electronegative Atoms	3
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(CSC(c1ccccc1)c1ccccc1)=O
InChIKey

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1 - 2- [(DIPHENYL METHYL) THIO] ACETIC ACID
2 - 2- [(DIPHENYL METHYL) THIO] ACETIC ACID

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2- [(DIPHENYL METHYL) THIO] ACETIC ACID