Chem 24 Dichlorophenylacetic Acid

Compound 95
  CheckMol                        TMF02:r0:m0
MF=C8H6Cl2O2 MW=205.04
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -0.7338   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2783   -2.2251   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5802    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5684   -2.9708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703   -0.7101   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8585   -2.2133   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3493   -2.2133   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1604    0.0592   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3611   -0.6983   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6631   -2.9589   -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 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2,4-Dichlorophenylacetic acid

₹ 0.00 0.00

Chemical Name - 2,4-Dichlorophenylacetic acid
Mol Weight - 205.04
Smiles - OC(Cc(ccc(Cl)c1)c1Cl)=O

Property Name	Property Value
Mol Name	2,4-Dichlorophenylacetic acid
Molweight	205.04
Monoisotopic Mass	203.974484
Clogp	2.3548
Clogs	-3.066
H Acceptors	2
H Donors	1
Total Surface Area	141.96
Relative Psa	0.18414
Polar Surface Area	37.3
Druglikeness	-1.5689
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.50025
Molecular Complexity	0.65854
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	OC(Cc(ccc(Cl)c1)c1Cl)=O
InChIKey	InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChI	GXMWLJKTGBZMBH-UHFFFAOYSA-N

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2,4-Dichlorophenylacetic acid