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Compound 138
  CheckMol                        TMF02:r0:m0
MF=C14H12O2 MW=212.25
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4940   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3280   -2.2410   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.2410   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729   -1.4821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2687   -3.7349   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8653   -2.2172   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5611    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4700   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5611   -4.4819   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1577   -1.4465   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8535    0.8063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9640   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5492   -5.9759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1459    0.0711   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2331   -6.7110   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 02  0  1  0  0
 13 16 02  0  1  0  0
 12 15 01  0  1  0  0
 14 16 01  0  1  0  0
M  END

Diphenylacetic acid

₹ 0.00 0.00

Chemical Name - Diphenylacetic acid
Mol Weight - 212.247
Smiles - OC(C(c1ccccc1)c1ccccc1)=O

Property Name	Property Value
Mol Name	Diphenylacetic acid
Molweight	212.247
Monoisotopic Mass	212.08373
Clogp	2.6704
Clogs	-2.743
H Acceptors	2
H Donors	1
Total Surface Area	169.62
Relative Psa	0.15411
Polar Surface Area	37.3
Druglikeness	-1.0878
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.4492
Molecular Complexity	0.53395
Fragments	1
Non H Atoms	16
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	8
Acidic Oxygens	1
Smiles	OC(C(c1ccccc1)c1ccccc1)=O
InChIKey	InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChI	PYHXGXCGESYPCW-UHFFFAOYSA-N

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Diphenylacetic acid