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Compound 50
  CheckMol                        TMF02:r0:m0
MF=C16H13Cl2NO4 MW=354.19
 23 24  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.7294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6116    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3175   -2.2116   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6233    1.5293   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9173   -0.7058   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6233   -2.9409   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9291    2.2939   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.0471   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9291   -2.1881   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9409    3.7997   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2349    1.5646   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2466    4.5643   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6586    4.5526   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5407    2.3175   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5524    3.8350   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6704    6.0583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9762    6.8230   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881    6.8112   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    8.3170   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1176    9.0699   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1646    8.3287   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294   10.5756   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
 11 13 01  0  1  0  0
 11 14  1  0  0  0  0
 12 15 02  0  1  0  0
 13 16 02  0  1  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7 10 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

Aceclofenac

₹ 0.00 0.00

Chemical Name - Aceclofenac
Mol Weight - 354.188
Smiles - OC(COC(Cc(cccc1)c1Nc(c(Cl)ccc1)c1Cl)=O)=O

Property Name	Property Value
Mol Name	Aceclofenac
Molweight	354.188
Monoisotopic Mass	353.022163
Clogp	3.4431
Clogs	-4.547
H Acceptors	5
H Donors	2
Total Surface Area	254.69
Relative Psa	0.23809
Polar Surface Area	75.63
Druglikeness	0.57333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.56522
Molecular Flexibility	0.51986
Molecular Complexity	0.75107
Fragments	1
Non H Atoms	23
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	3
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	OC(COC(Cc(cccc1)c1Nc(c(Cl)ccc1)c1Cl)=O)=O
InChIKey
InChI	C16H13NO4Cl2

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Aceclofenac