Chem 2 Benzoylbenzoic Acid Dynax

Compound 38
  CheckMol                        TMF02:r0:m0
MF=C14H10O3 MW=226.23
 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
   -1.3163   -0.7471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327    0.0237   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282   -2.2413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9885   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6446   -2.9766   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2571   -2.2295   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4827   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6564   -4.4708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.7115   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -2.9647   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3638   -5.2179   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5378   -4.4590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8423   -2.2058   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8304   -5.2061   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1349   -2.9529   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1231   -4.4471   -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  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12 02  0  1  0  0
 11 13 02  0  1  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
  9 12 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

2-Benzoylbenzoic Acid

₹ 0.00 0.00

Chemical Name - 2-Benzoylbenzoic Acid
Mol Weight - 226.23
Smiles - OC(c(cccc1)c1C(c1ccccc1)=O)=O

Property Name	Property Value
Mol Name	2-Benzoylbenzoic Acid
Molweight	226.23
Monoisotopic Mass	226.062995
Clogp	2.2747
Clogs	-3.729
H Acceptors	3
H Donors	1
Total Surface Area	174.87
Relative Psa	0.22405
Polar Surface Area	54.37
Druglikeness	-1.1733
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.50775
Molecular Complexity	0.71485
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	1
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	OC(c(cccc1)c1C(c1ccccc1)=O)=O
InChIKey	InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChI	FGTYTUFKXYPTML-UHFFFAOYSA-N

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1 - 2-Benzoylbenzoic Acid
2 - 2-Benzoylbenzoic Acid

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2-Benzoylbenzoic Acid