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Compound 35
  CheckMol                        TMF02:r0:m0
MF=C13H10O2 MW=198.22
 15 16  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   -1.4988   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323   -2.2482   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2847   -2.2482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5812   -1.4869   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2728   -3.7470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8778   -2.2363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5693   -4.4845   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8659   -3.7351   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1625   -4.4845   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1506   -5.9832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4591   -3.7232   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4472   -6.7326   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7556   -4.4726   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7437   -5.9714   -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 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 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
  8  9 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

p-Phenyl Benzoic Acid

₹ 0.00 0.00

Chemical Name - p-Phenyl Benzoic Acid
Mol Weight - 198.22
Smiles - OC(c(cc1)ccc1-c1ccccc1)=O

Property Name	Property Value
Mol Name	p-Phenyl Benzoic Acid
Molweight	198.22
Monoisotopic Mass	198.06808
Clogp	2.8039
Clogs	-3.715
H Acceptors	2
H Donors	1
Total Surface Area	157.12
Relative Psa	0.16637
Polar Surface Area	37.3
Druglikeness	-1.8442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.40333
Molecular Complexity	0.58727
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	4
Acidic Oxygens	1
Smiles	OC(c(cc1)ccc1-c1ccccc1)=O
InChIKey	InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChI	NNJMFJSKMRYHSR-UHFFFAOYSA-N

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p-Phenyl Benzoic Acid