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Compound 142
  CheckMol                        TMF02:r0:m0
MF=C14H12O3 MW=228.25
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0121   -1.5238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544   -2.2735   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061   -2.2735   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -1.4996   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940   -3.7973   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6242   -3.0233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0484   -4.5471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2252   -4.5471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8056   -4.5229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9424   -2.2493   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0605   -6.0708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6001   -6.0708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9303   -5.2969   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2606   -3.0112   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2577   -6.8327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2485   -4.5108   -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
  4  7  1  0  0  0  0
  6  8 02  0  1  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 12 16 02  0  1  0  0
 14 17 02  0  1  0  0
 13 16 01  0  1  0  0
 15 17 01  0  1  0  0
M  END

Benzilic acid

₹ 0.00 0.00

Chemical Name - Benzilic acid
Mol Weight - 228.246
Smiles - OC(C(O)=O)(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Benzilic acid
Molweight	228.246
Monoisotopic Mass	228.078645
Clogp	1.425
Clogs	-2.335
H Acceptors	3
H Donors	2
Total Surface Area	173.88
Relative Psa	0.22567
Polar Surface Area	57.53
Druglikeness	0.62836
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.53082
Molecular Complexity	0.61292
Fragments	1
Non H Atoms	17
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	8
Acidic Oxygens	1
Smiles	OC(C(O)=O)(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
InChI	UKXSKSHDVLQNKG-UHFFFAOYSA-N

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Benzilic acid